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Published work

96 published item(s)

preprint2026arXiv

SimReg: Achieving Higher Performance in the Pretraining via Embedding Similarity Regularization

Pretraining large language models (LLMs) with next-token prediction has led to remarkable advances, yet the context-dependent nature of token embeddings in such models results in high intra-class variance and inter-class similarity, thus hindering the efficiency of representation learning. While similarity-based regularization has demonstrated benefit in supervised fine-tuning and classification tasks, its application and efficacy in large-scale LLM pretraining remains underexplored. In this work, we propose the SimReg, an embedding similarity regularization loss that explicitly encourages token representations with the same ground-truth label within each sequence to be more similar, while enforcing separation from different-label tokens via a contrastive loss. Our analysis reveals that this mechanism introduces gains by enlarging multi-classification margins, thereby enabling more efficient classification. Extensive experiments across dense and Mixture-of-Experts (MoE) architectures demonstrate that SimReg consistently accelerates training convergence by over 30% and improves average zero-shot downstream performance by over 1% across standard benchmarks. Further ablation studies and analyses offer practical insights into hyperparameter tuning and loss effectiveness.

preprint2025arXiv

Joint Selection for Large-Scale Pre-Training Data via Policy Gradient-based Mask Learning

A fine-grained data recipe is crucial for pre-training large language models, as it can significantly enhance training efficiency and model performance. One important ingredient in the recipe is to select samples based on scores produced by defined rules, LLM judgment, or statistical information in embeddings, which can be roughly categorized into quality and diversity metrics. Due to the high computational cost when applied to trillion-scale token pre-training datasets such as FineWeb and DCLM, these two or more types of metrics are rarely considered jointly in a single selection process. However, in our empirical study, selecting samples based on quality metrics exhibit severe diminishing returns during long-term pre-training, while selecting on diversity metrics removes too many valuable high-quality samples, both of which limit pre-trained LLMs' capabilities. Therefore, we introduce DATAMASK, a novel and efficient joint learning framework designed for large-scale pre-training data selection that can simultaneously optimize multiple types of metrics in a unified process, with this study focusing specifically on quality and diversity metrics. DATAMASK approaches the selection process as a mask learning problem, involving iterative sampling of data masks, computation of policy gradients based on predefined objectives with sampled masks, and updating of mask sampling logits. Through policy gradient-based optimization and various acceleration enhancements, it significantly reduces selection time by 98.9% compared to greedy algorithm, enabling our study to explore joint learning within trillion-scale tokens. With DATAMASK, we select a subset of about 10% from the 15 trillion-token FineWeb dataset, termed FineWeb-Mask. Evaluated across 12 diverse tasks, we achieves significant improvements of 3.2% on a 1.5B dense model and 1.9% on a 7B MoE model.

preprint2023arXiv

Renormalizing Antiferroelectric Nanostripes in $β'-\mathrm{In}_{2}\mathrm{Se}_{3}$ via Optomechanics

Antiferroelectric (AFE) materials have received tremendous attention owing to their high energy conversion efficiency and good tunability. Recently, an exotic two-dimensional (2D) AFE material, $β'-\mathrm{In}_{2}\mathrm{Se}_{3}$ monolayer that could host atomically thin AFE nanostripe domains has been experimentally synthesized and theoretically examined. In this work, we apply first-principles calculations and theoretical estimations to predict that light irradiation can control the nanostripe width of such a system. We suggest that an intermediate near-infrared light (below bandgap) could effectively harness the thermodynamic Gibbs free energy, and the AFE nanostripe width will gradually reduce. We also propose to use an above bandgap linearly polarized light to generate AFE nanostripespecific photocurrent, providing an all-optical pump-probe setup for such AFE nanostripe width phase transitions.

preprint2022arXiv

A Kernel-Expanded Stochastic Neural Network

The deep neural network suffers from many fundamental issues in machine learning. For example, it often gets trapped into a local minimum in training, and its prediction uncertainty is hard to be assessed. To address these issues, we propose the so-called kernel-expanded stochastic neural network (K-StoNet) model, which incorporates support vector regression (SVR) as the first hidden layer and reformulates the neural network as a latent variable model. The former maps the input vector into an infinite dimensional feature space via a radial basis function (RBF) kernel, ensuring absence of local minima on its training loss surface. The latter breaks the high-dimensional nonconvex neural network training problem into a series of low-dimensional convex optimization problems, and enables its prediction uncertainty easily assessed. The K-StoNet can be easily trained using the imputation-regularized optimization (IRO) algorithm. Compared to traditional deep neural networks, K-StoNet possesses a theoretical guarantee to asymptotically converge to the global optimum and enables the prediction uncertainty easily assessed. The performances of the new model in training, prediction and uncertainty quantification are illustrated by simulated and real data examples.

preprint2022arXiv

A VLBA Trigonometric Parallax for RR Aql and the Mira PL Relation

We report VLBA observations of 22 GHz H$_{2}$O and 43 GHz SiO masers toward the Mira variable RR Aql. By fitting the SiO maser emission to a circular ring, we estimate the absolute stellar position of RR Aql and find agreement with Gaia astrometry to within the joint uncertainty of $\approx1$ mas. Using the maser astrometry we measure a stellar parallax of 2.44 $\pm$ 0.07 mas, corresponding to a distance of 410$^{+12}_{-11}$ pc. The maser parallax deviates significantly from the Gaia EDR3 parallax of 1.95 $\pm$ 0.11 mas, indicating a $3.8σ$ tension between radio and optical measurements. This tension is most likely caused by optical photo-center variations limiting the Gaia astrometric accuracy for this Mira variable. Combining infrared magnitudes with parallaxes for RR Aql and other Miras, we fit a period-luminosity relation using a Bayesian approach with MCMC sampling and a strong prior for the slope of -3.60 $\pm$ 0.30 from the LMC. We find a $K$-band zero-point (defined at logP(days) = 2.30) of -6.79 $\pm$ 0.15 mag using VLBI parallaxes and -7.08 $\pm$ 0.29 mag using Gaia parallaxes. The Gaia zero-point is statistically consistent with the more accurate VLBI value.

preprint2022arXiv

CO Emission Delineating the Interface between the Milky Way Nuclear Wind Cavity and the Gaseous Disk

Based on the MWISP survey, we study high-z CO emission toward the tangent points, in which the distances of the molecular clouds (MCs) are well determined. In the region of l=12-26 deg and |b|<5.1 deg, a total of 321 MCs with |z|> 110 pc are identified, of which nearly 30 extreme high-z MCs (EHMCs at |z|> 260 pc) are concentrated in a narrow region of R_GC=2.6-3.1 kpc. The EHMC concentrations, together with other high-z MCs at R_GC=2.3-2.6 kpc, constitute molecular crater-wall structures surrounding the edges of the HI voids that are physically associated with the Fermi bubbles. Intriguingly, some large high-z MCs, which lie in the crater walls above and below the Galactic plane, show cometary structures with the head toward the plane, favouring the scenario that the entrained molecular gas moves with the multi-phase flows from the plane to the high-z regions. We suggest that the Milky Way nuclear wind has a significant impact on the Galactic gaseous disk. The powerful nuclear wind at ~3-6 Myr ago is likely responsible for the observational features, (1) the enhanced CO gas lying in the edges of the HI voids, (2) the deficiency of atomic and molecular gas within R_GC<3 kpc, (3) the possible connection between the EHMC concentrations and the 3-kpc arm, and (4) the elongated high-z MCs with the tail pointing away from the Galactic plane.

preprint2022arXiv

CO(J = 1-0) Observations toward the Filamentary Cloud in the Galactic Region of $153.60^{\circ} \leqslant l \leqslant 156.50^{\circ}$ and $1.85^{\circ} \leqslant b \leqslant 3.50^{\circ}$

We present observations of $J$=1-0 transition lines of ${ }^{12} \mathrm{CO}$, ${ }^{13} \mathrm{CO}$, and $\mathrm{C}^{18} \mathrm{O}$ towards the Galactic region of $153.60^{\circ} \leqslant l \leqslant 156.50^{\circ}$ and $1.85^{\circ} \leqslant b \leqslant 3.50^{\circ}$, using the Purple Mountain Observatory (PMO) 13.7 m millimeter telescope. Based on the \tht data, one main filament and five sub-filaments are found together as a network structure in the velocity interval of $[-42.5, -30.0] \,\mathrm{km} \mathrm{\,s}^{-1}$. The kinematic distance of this molecular cloud (MC) is estimated to be $\sim4.5 \mathrm{\,kpc}$. The median length, width, excitation temperature, line mass of these filaments are $\sim49 \mathrm{\,pc}$, $\sim2.9 \mathrm{\,pc}$, $\sim8.9 \mathrm{\,K}$, and $\sim39 \,M_{\odot} \mathrm{pc}^{-1}$, respectively. The velocity structures along these filaments exhibit oscillatory patterns, which are likely caused by the fragmentation or accretion process along these filaments. The maximum accretion rate is estimated to be as high as $\sim700 \,M_{\odot} \mathrm{pc}^{-1}$. A total of $\sim162$ \tht clumps and $\sim 103$ young stellar objects (YSOs) are identified in this region. Most of the clumps are in gravitationally bound states. Three \hii regions (G154.359+2.606, SH2-211, SH2-212) are found to be located in the apexes of the filaments. Intense star forming activities are found along the entire filamentary cloud. The observed results may help us to better understand the link between filaments and massive star formation.

preprint2022arXiv

Dependence of Molecular Cloud Samples on Angular Resolution, Sensitivity, and Algorithms

In this work, we investigate the observational and algorithmic effects on molecular cloud samples identified from position-position-velocity (PPV) space. By smoothing and cutting off the high quality data of the Milky Way Imaging Scroll Painting (MWISP) survey, we extract various molecular cloud samples from those altered data with the DBSCAN (density-based spatial clustering of applications with noise) algorithm. Those molecular cloud samples are subsequently used to gauge the significance of sensitivity, angular/velocity resolution, and DBSCAN parameters. Two additional surveys, the FCRAO Outer Galaxy Survey (OGS) and the CfA-Chile 1.2 m complete CO (CfA-Chile) survey, are used to verify the MWISP results. We found that molecular cloud catalogs are not unique and the boundary and therefore the number shows strong variation with angular resolution and sensitivity. At low angular resolution (large beam sizes), molecular clouds merge together in PPV space, while low sensitivity (high cutoffs) misses small faint molecular clouds and takes bright parts of large molecular clouds as single ones. At high angular resolution and sensitivity, giant molecular clouds (GMCs) are resolved into individual clouds, and their diffuse components are also revealed. Consequently, GMCs are more appropriately interpreted as clusters or aggregates of molecular clouds, i.e., GMCs represent molecular cloud samples themselves.

preprint2022arXiv

Diagnosing Triggered Star Formation in the Galactic H II region Sh 2-142

Stars are formed by gravitational collapse, spontaneously or, in some cases under the constructive influence of nearby massive stars, out of molecular cloud cores. Here we present an observational diagnosis of such triggered formation processes in the prominent \ion{H}{2} region Sh\,2-142, which is associated with the young star cluster NGC\,7380, and with some bright-rimmed clouds as the signpost of photoionization of molecular cloud surfaces. Using near- (2MASS) and mid-infrared (WISE) colors, we identified candidate young stars at different evolutionary stages, including embedded infrared sources having spectral energy distributions indicative of active accretion. We have also used data from our optical observations to be used in SEDs, and from Gaia EDR3 to study the kinematics of young objects. With this young stellar sample, together with the latest CO line emission data (spectral resolution $\sim 0.16$~km~s$^{-1}$, sensitivity $\sim 0.5$~K), a positional and ageing sequence relative to the neighboring cloud complex, and to the bright-rimmed clouds, is inferred. The propagating stellar birth may be responsible, at least partially, for the formation of the cluster a few million years ago, and for the ongoing activity now witnessed in the cloud complex.

preprint2022arXiv

Giant intrinsic anomalous terahertz Faraday rotation in the magnetic Weyl semimetal Co$_2$MnGa at room temperature

We report measurement of terahertz anomalous Hall conductivity and Faraday rotation in the magnetic Weyl semimetal Co$_2$MnGa thin films as a function of the magnetic field, temperature and thickness, using time-domain terahertz spectroscopy. The terahertz conductivity shows a thickness-independent anomalous Hall conductivity of around 600 $Ω^{-1}\cdot cm^{-1}$ at room temperature, and it is also frequency-independent from 0.2-1.5 THz. The magnitude of the longitudinal and Hall conductivities, the weak spin-orbit coupling, and the very close positioning of Weyl points to the chemical potential all satisfy the criteria for intrinsic anomalous Hall conductivity. First-principle calculation also supports the frequency-independent intrinsic anomalous Hall conductivity at low frequency. We also find a thickness-independent Faraday rotation of 59 ($\pm6$) mrad at room temperature, which comes from the intrinsic Berry curvature contribution. In the thinnest 20 nm sample, the Faraday rotation divided by the sample thickness reaches around 3 mrad/nm due to Berry curvature, and is the largest reported at room temperature. The giant Verdet constant of the order of 10 $^{6}$ rad m $^{-1}$ T $^{-1}$ at room temperature and the large Hall angle around 8.5 $\%$ from 0.2-1.5 THz indicates that Co$_2$MnGa is promising for THz spintronics at room temperature.

preprint2022arXiv

High-throughput study of the anomalous Hall effect

Despite being known for a long time the anomalous Hall effect still attracts attention because of its complex origins, its connection to topology and because it serves as a useful probe of the magnetic order. Here we study the anomalous Hall effect using automatic high-throughput calculation scheme. We calculate the intrinsic anomalous Hall effect in 2871 ferromagnetic materials. We use these results to study general properties of the anomalous Hall effect such as its dependence on the strength of the spin-orbit coupling or magnetization. We also examine the origin of the anomalous Hall effect in the materials with the largest effect and show that the origin of the large anomalous Hall effect is usually associated with symmetry protected band degeneracies in the non-relativistic electronic structure, typically mirror symmetry protected nodal lines. Additionally, we study the dependence of the anomalous Hall effect on the magnetization direction, showing that in many materials it differs significantly from the commonly assumed expression $\mathbf{j}^\text{AHE} \sim \mathbf{M} \times \mathbf{E}$.

preprint2022arXiv

Magnetic Proximity Evoked Colossal Bulk Photovoltaics in Crystalline Symmetric Layers

Bulk photovoltaic (BPV) effect, a second order nonlinear process that generates static current under light irradiation, requires centrosymmetric broken systems as its application platform. In order to realize measurable BPV photocurrent in spatially centrosymmetric materials, various schemes such as chemical doping, structural deformation, or electric bias have been developed. In the current work, we suggest that magnetic proximity effect via van der Waals interfacial interaction, a contact-free strategy, also breaks the centrosymmetry and generate large BPV photocurrents. Using the Bi2Te3 quintuple layer as an exemplary material, we show that magnetic proximity from MnBi2Te4 septuple layers yield finite and tunable shift and injection photocurrents. We apply group analysis and first-principles calculations to evaluate the layer-specific shift and injection current generations under linearly polarized light irradiation. We find that the magnetic injection photoconductivity that localized on the Bi2Te3 layer can reach over 70*108 A/(V2s), so that a 1D linear current density on the order of 0.1 mA/nm can be achieved under an intermediate intensity light. In addition to charge current, we also extend our discussions into spin BPV current, giving pure photo-generated spin current. The vertical propagation direction between the charge and spin photocurrents suggest that they can be used individually in a single material. Compared with previously reported methods, the magnetic proximity effect via van der Waals interface does not significantly alter the intrinsic feature of the centrosymmetric material (e.g., Bi2Te3), and its manipulation can be easily achieved by the proximate magnetic configurations (of MnBi2Te4), interlayer distance, and light polarization.

preprint2022arXiv

Manifold-constrained Gaussian process inference for time-varying parameters in dynamic systems

Identification of parameters in ordinary differential equations (ODEs) is an important and challenging task when modeling dynamic systems in biomedical research and other scientific areas, especially with the presence of time-varying parameters. This article proposes a fast and accurate method, TVMAGI (Time-Varying MAnifold-constrained Gaussian process Inference), to estimate both time-constant and time-varying parameters in the ODE using noisy and sparse observation data. TVMAGI imposes a Gaussian process model over the time series of system components as well as time-varying parameters, and restricts the derivative process to satisfy ODE conditions. Consequently, TVMAGI completely bypasses numerical integration and achieves substantial savings in computation time. By incorporating the ODE structures through manifold constraints, TVMAGI enjoys a principled statistical construct under the Bayesian paradigm, which further enables it to handle systems with missing data or unobserved components. The Gaussian process prior also alleviates the identifiability issue often associated with the time-varying parameters in ODE. Unlike existing approaches, TVMAGI can be applied to general nonlinear systems without specific structural assumptions. Three simulation examples, including an infectious disease compartmental model, are provided to illustrate the robustness and efficiency of our method compared with numerical integration and Bayesian filtering methods.

preprint2022arXiv

Molecular Gas Structures traced by $^{13}$CO Emission in the 18,190 $^{12}$CO Molecular Clouds from the MWISP Survey

After the morphological classification of the 18,190 $^{12}$CO molecular clouds, we further investigate the properties of their internal molecular gas structures traced by the $^{13}$CO($J=$ 1$-$0) line emissions. Using three different methods to extract the $^{13}$CO gas structures within each $^{12}$CO cloud, we find that $\sim$ 15$\%$ of $^{12}$CO clouds (2851) have $^{13}$CO gas structures and these $^{12}$CO clouds contribute about 93$\%$ of the total integrated flux of $^{12}$CO emission. In each of 2851 $^{12}$CO clouds with $^{13}$CO gas structures, the $^{13}$CO emission area generally does not exceed 70$\%$ of the $^{12}$CO emission area, and the $^{13}$CO integrated flux does not exceed 20$\%$ of the $^{12}$CO integrated flux. We reveal a strong correlation between the velocity-integrated intensities of $^{12}$CO lines and those of $^{13}$CO lines in both $^{12}$CO and $^{13}$CO emission regions. This indicates the H$_{2}$ column densities of molecular clouds are crucial for the $^{13}$CO lines emission. After linking the $^{13}$CO structure detection rates of the 18,190 $^{12}$CO molecular clouds to their morphologies, i.e. nonfilaments and filaments, we find that the $^{13}$CO gas structures are primarily detected in the $^{12}$CO clouds with filamentary morphologies. Moreover, these filaments tend to harbor more than one $^{13}$CO structure. That demonstrates filaments not only have larger spatial scales, but also have more molecular gas structures traced by $^{13}$CO lines, i.e. the local gas density enhancements. Our results favor the turbulent compression scenario for filament formation, in which dynamical compression of turbulent flows induces the local density enhancements. The nonfilaments tend to be in the low-pressure and quiescent turbulent environments of the diffuse interstellar medium.

preprint2022arXiv

Quasi-symmetry protected topology in a semi-metal

The crystal symmetry of a material dictates the type of topological band structures it may host, and therefore symmetry is the guiding principle to find topological materials. Here we introduce an alternative guiding principle, which we call 'quasi-symmetry'. This is the situation where a Hamiltonian has an exact symmetry at lower-order that is broken by higher-order perturbation terms. This enforces finite but parametrically small gaps at some low-symmetry points in momentum space. Untethered from the restraints of symmetry, quasi-symmetries eliminate the need for fine-tuning as they enforce that sources of large Berry curvature will occur at arbitrary chemical potentials. We demonstrate that a quasi-symmetry in the semi-metal CoSi stabilizes gaps below 2 meV over a large near-degenerate plane that can be measured in the quantum oscillation spectrum. The application of in-plane strain breaks the crystal symmetry and gaps the degenerate point, observable by new magnetic breakdown orbits. The quasi-symmetry, however, does not depend on spatial symmetries and hence transmission remains fully coherent. These results demonstrate a class of topological materials with increased resilience to perturbations such as strain-induced crystalline symmetry breaking, which may lead to robust topological applications as well as unexpected topology beyond the usual space group classifications.

preprint2022arXiv

Temperature dependence of quantum oscillations from non-parabolic dispersions

The phase offset of quantum oscillations is commonly used to experimentally diagnose topologically non-trivial Fermi surfaces. This methodology, however, is inconclusive for spin-orbit-coupled metals where $π$-phase-shifts can also arise from non-topological origins. Here, we show that the linear dispersion in topological metals leads to a $T^2$-temperature correction to the oscillation frequency that is absent for parabolic dispersions. We confirm this effect experimentally in the Dirac semi-metal Cd$_3$As$_2$ and the multiband Dirac metal LaRhIn$_5$. Both materials match a tuning-parameter-free theoretical prediction, emphasizing their unified origin. For topologically trivial Bi$_2$O$_2$Se, no frequency shift associated to linear bands is observed as expected. However, the $π$-phase shift in Bi$_2$O$_2$Se would lead to a false positive in a Landau-fan plot analysis. Our frequency-focused methodology does not require any input from ab-initio calculations, and hence is promising for identifying correlated topological materials.

preprint2022arXiv

Tree-based Regression for Interval-valued Data

Regression methods for interval-valued data have been increasingly studied in recent years. As most of the existing works focus on linear models, it is important to note that many problems in practice are nonlinear in nature and therefore development of nonlinear regression tools for interval-valued data is crucial. In this paper, we propose a tree-based regression method for interval-valued data, which is well applicable to both linear and nonlinear problems. Unlike linear regression models that usually require additional constraints to ensure positivity of the predicted interval length, the proposed method estimates the regression function in a nonparametric way, so the predicted length is naturally positive without any constraints. A simulation study is conducted that compares our method to popular existing regression models for interval-valued data under both linear and nonlinear settings. Furthermore, a real data example is presented where we apply our method to analyze price range data of the Dow Jones Industrial Average index and its component stocks.

preprint2022arXiv

Two-dimensional Obstructed Atomic Insulators with Fractional Corner Charge in MA$_2$Z$_4$ Family

According to topological quantum chemistry, a class of electronic materials have been called obstructed atomic insulators (OAIs), in which a portion of valence electrons necessarily have their centers located on some empty $\textit{Wyckoff}$ positions without atoms occupation in the lattice. The obstruction of centering these electrons coinciding with their host atoms is nontrivial and results in metallic boundary states when the boundary is properly cut. Here, on basis of first-principles calculations in combination with topological quantum chemistry analysis, we propose two dimensional MA$_2$Z$_4$ (M = Cr, Mo and W; A = Si and Ge, Z = N, P and As) monolayer family are all OAIs. A typical case is the recently synthesized MoSi$_2$N$_4$. Although it is a topological trivial insulator with the occupied electronic states being integer combination of elementary band representations, it has valence electrons centering empty $\textit{Wyckoff}$ positions. It exhibits unique OAI-induced metallic edge states along the (1$\bar{1}$0) edge of MoSi$_2$N$_4$ monolayer and the in-gap corner states at three vertices of certain hexagonal nanodisk samples respecting C$_3$ rotation symmetry. The readily synthesized MoSi$_2$N$_4$ is quite stable and has a large bulk band gap of 1.94 eV, which makes the identification of these edge and corner states most possible for experimental clarification.

preprint2021arXiv

Anomalous thermoelectric effects and quantum oscillations in the kagome metal CsV$_3$Sb$_5$

The kagome metal compounds $A$V$_3$Sb$_5$ ($A$ = K, Rb, and Cs) feature a wealth of phenomena including nontrivial band topology, charge density wave (CDW), and superconductivity. One intriguing property is the time-reversal symmetry breaking in the CDW state without local moments, which leads to anomalous transport responses. Here, we report the investigation of magneto-thermoelectric effects on high-quality CsV$_3$Sb$_5$ single crystals. A large anomalous Nernst effect is observed at temperatures below 30 K. Multiple Fermi surfaces with small effective masses are revealed by quantum oscillations in Nernst and Seebeck signals under high magnetic field. Furthermore, we find an unknown frequency, and attribute it to the magnetic breakdown across two smaller Fermi surfaces. A gap around 20 meV can be resolved from the breakdown threshold field, which we propose to be introduced by the CDW. These results shed new light on the CDW-related phenomena, particularly in $A$V$_3$Sb$_5$ compounds.

preprint2021arXiv

Consistent Sparse Deep Learning: Theory and Computation

Deep learning has been the engine powering many successes of data science. However, the deep neural network (DNN), as the basic model of deep learning, is often excessively over-parameterized, causing many difficulties in training, prediction and interpretation. We propose a frequentist-like method for learning sparse DNNs and justify its consistency under the Bayesian framework: the proposed method could learn a sparse DNN with at most $O(n/\log(n))$ connections and nice theoretical guarantees such as posterior consistency, variable selection consistency and asymptotically optimal generalization bounds. In particular, we establish posterior consistency for the sparse DNN with a mixture Gaussian prior, show that the structure of the sparse DNN can be consistently determined using a Laplace approximation-based marginal posterior inclusion probability approach, and use Bayesian evidence to elicit sparse DNNs learned by an optimization method such as stochastic gradient descent in multiple runs with different initializations. The proposed method is computationally more efficient than standard Bayesian methods for large-scale sparse DNNs. The numerical results indicate that the proposed method can perform very well for large-scale network compression and high-dimensional nonlinear variable selection, both advancing interpretable machine learning.

preprint2021arXiv

Field-effect at electrical contacts to two-dimensional materials

The inferior electrical contact to two-dimensional (2D) materials is a critical challenge for their application in post-silicon very large-scale integrated circuits. Electrical contacts were generally related to their resistive effect, quantified as contact resistance. With a systematic investigation, this work demonstrates a capacitive metal-insulator-semiconductor (MIS) field-effect at the electrical contacts to 2D materials: the field-effect depletes or accumulates charge carriers, redistributes the voltage potential, and give rise to abnormal current saturation and nonlinearity. On the one hand, the current saturation hinders the devices' driving ability, which can be eliminated with carefully engineered contact configurations. On the other hand, by introducing the nonlinearity to monolithic analog artificial neural network circuits, the circuits' perception ability can be significantly enhanced, as evidenced using a COVID-19 critical illness prediction model. This work provides a comprehension of the field-effect at the electrical contacts to 2D materials, which is fundamental to the design, simulation, and fabrication of electronics based on 2D material.

preprint2021arXiv

Giant anomalous Nernst signal in the antiferromagnet YbMnBi2

Searching for a high anomalous Nernst effect (ANE) is crucial for thermoelectric energy conversion applications because the associated unique transverse geometry facilitates module fabrication. Topological ferromagnets with large Berry curvatures show high ANEs; however, they face drawbacks such as strong magnetic disturbances and low mobility due to high magnetization. Herein, we demonstrate that YbMnBi2, a canted antiferromagnet, has a large ANE conductivity of ~10 Am-1K-1 that surpasses the common high values (i.e. 3-5 Am-1K-1) observed so far in ferromagnets. The canted spin structure of Mn guarantees a nonzero Berry curvature but generates only a weak magnetization three orders of magnitude lower than that of general ferromagnets. The heavy Bi with a large spin-orbit coupling enables a high ANE and low thermal conductivity, whereas its highly dispersive px/y orbitals ensure low resistivity. The high anomalous transverse thermoelectric performance and extremely small magnetization makes YbMnBi2 an excellent candidate for transverse thermoelectrics.

preprint2021arXiv

Obstructed surface states as the origin of catalytic activity in inorganic heterogeneous catalysts

The discovery of new catalysts that are efficient, sustainable, and low-cost is a major research endeavor for many industrial chemical processes. This requires an understanding and determination of the catalytic origins for the given catalysts, which still remains a challenge. Here we describe a novel method to identify new catalysts based on searching for crystalline symmetry-protected obstructed atomic insulators (OAIs) that have metallic surface states on otherwise semiconducting or insulating compounds. The Wannier charge centers in OAIs are pinned by symmetries at some empty Wyckoff positions so that surfaces that accommodate these sites are guaranteed to have metallic obstructed surface states (OSSs). Beyond the well-studied 2H-MoS2, we further verified our theory on the catalysts, 2H-MoTe2, and 1T'-MoTe2, whose catalytic active sites are consistent with our calculations of obstructed Wannier charge centers (OWCCs) and OSSs. In addition, we have predicted the location of catalytic active sites and confirmed these predictions by exploring the hydrogen evolution reaction on NiPS3 bulk single crystals, which we find to be one of the most promising new catalysts with high activity and, moreover, of low cost. Most importantly, we successfully identified several high-efficient catalysts just by considering the number of OWCCs and the crystal symmetry of the OAIs. Using the real space invariant theory and high-throughput computational methods applied to a database of 34013 topologically trivial insulators, we have identified 1788 unique OAIs (3383 ICSDs), of which 465 are potential high-quality catalysts for heterogeneous reactions. The Miller indices of the active surfaces are also obtained. Our new methodology will facilitate and accelerate the discovery of new catalysts for a wide range of heterogeneous redox reactions, where sustainability, toxicity, and cost must be considered.

preprint2021arXiv

Quasi-quantized Hall response in bulk InAs

The quasi-quantized Hall effect (QQHE) is the three-dimensional (3D) counterpart of the integer quantum Hall effect (QHE),exhibited only by two-dimensional (2D) electron systems. It has recently been observed in layered materials, consisting of stacks of weakly coupled 2D platelets that are yet characterized by a 3D anisotropic Fermi surface. However, it is predicted that the quasi-quantized 3D version of the 2D QHE should occur in a much broader class of bulk materials, regardless of the underlying crystal structure. Here, we compare the observation of quasi-quantized plateau-like features in the Hall conductivity of then-type bulk semiconductor InAs with the predictions for the 3D QQHE in presence of parabolic electron bands. InAs takes form of a cubic crystal without any low-dimensional substructure. The onset of the plateau-like feature in the Hall conductivity scales with $\sqrt{2/3}k_{F}^{z}/π$ in units of the conductance quantum and is accompanied by a Shubnikov-de Haas minimum in the longitudinal resistivity, consistent wit the results of calculations. This confirms the suggestion that the 3D QQHE may be a generic effect directly observable in materials with small Fermi surfaces, placed in sufficiently strong magnetic fields

preprint2020arXiv

A combined laser-based ARPES and 2PPES study of Td-WTe$_2$

Laser-based angle-resolved photoemission spectroscopy (ARPES) and two-photon photoemission spectroscopy (2PPES) are employed to study the valence electronic structure of the Weyl semimetal candidate Td-WTe$_2$ along two high symmetry directions and for binding energies between $\approx$ -1 eV and 5 eV. The experimental data show a good agreement with band structure calculations. Polarization dependent measurements provide furthermore information on initial and intermediate state symmetry properties with respect to the mirror plane of the Td structure of WTe$_2$.

preprint2020arXiv

Anisotropic electrical and thermal magnetotransport in the magnetic semimetal GdPtBi

The half-Heusler rare-earth intermetallic GdPtBi has recently gained attention due to peculiar magnetotransport phenomena that have been associated with the possible existence of Weyl fermions, thought to arise from the crossings of spin-split conduction and valence bands. On the other hand, similar magnetotransport phenomena observed in other rare-earth intermetallics have often been attributed to the interaction of itinerant carriers with localized magnetic moments stemming from the $4f$-shell of the rare-earth element. In order to address the origin of the magnetotransport phenomena in GdPtBi, we performed a comprehensive study of the magnetization, electrical and thermal magnetoresistivity on two single-crystalline GdPtBi samples. In addition, we performed an analysis of the Fermi surface via Shubnikov-de Haas oscillations in one of the samples and compared the results to \emph{ab initio} band structure calculations. Our findings indicate that the electrical and thermal magnetotransport in GdPtBi cannot be solely explained by Weyl physics and is strongly influenced by the interaction of both itinerant charge carriers and phonons with localized magnetic Gd-ions and possibly also paramagnetic impurities.

preprint2020arXiv

Chiral Topological Semimetal with Multifold Band Crossings and Long Fermi arcs

Topological semimetals in crystals with a chiral structure (which possess a handedness due to a lack of mirror and inversion symmetries) are expected to display numerous exotic physical phenomena, including fermionic excitations with large topological charge [1], long Fermi arc surface states [2,3], unusual magnetotransport [4] and lattice dynamics [5], as well as a quantized response to circularly polarized light [6]. To date, all experimentally confirmed topological semimetals exist in crystals that contain mirror operations, meaning that these properties do not appear. Here, we show that AlPt is a structurally chiral topological semimetal that hosts new fourfold and sixfold fermions, which can be viewed as a higher spin eneralization of Weyl fermions without equivalence in elementary particle physics. These multifold fermions are located at high symmetry points and have Chern numbers larger than those in Weyl semimetals, thus resulting in multiple Fermi arcs that span the full diagonal of the surface Brillouin zone. By imaging these long Fermi arcs, we experimentally determine the magnitude and sign of their Chern number, allowing us to relate their dispersion to the handedness of their host crystal.

preprint2020arXiv

Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response

As the development of topological band theory, comprehensive databases about time reversal and crystalline symmetries protected nonmagnetic topological materials were developed via first-principles calculations recently. However, owing to the low symmetry requirement of Weyl points, the symmetry-based topological indicator cannot be applied to Weyl semimetals (WSMs). Hitherto, the WSMs with Weyl points in arbitrary positions are still absent in the well-known databases. In this work, we develop an efficient algorithm to search for Weyl points automatically and establish a database of nonmagnetic WSMs with Weyl points near Fermi level based on the total experimental noncentrosymmetric crystal structures in the Inorganic Crystal Structure Database (ICSD). Totally 46 Weyl semimetals were discovered to have nearly clean Fermi surface and Weyl points near Fermi level within 300 meV, and 9 of them are chiral structures which may host the quantized circular photogalvanic effect. In addition, the nonlinear optical response is studied and giant shift current is explored in the end. Besides nonmagnetic WSMs, our powerful tools can also be used in the discovery of magnetic topological materials.

preprint2020arXiv

Deep Learning Based Equalizer for MIMO-OFDM Systems with Insufficient Cyclic Prefix

In this paper, we study the equalization design for multiple-input multiple-output (MIMO) orthogonal frequency division multiplexing (OFDM) systems with insufficient cyclic prefix (CP). In particular, the signal detection performance is severely impaired by inter-carrier interference (ICI) and inter-symbol interference (ISI) when the multipath delay spread exceeding the length of CP. To tackle this problem, a deep learning-based equalizer is proposed for approximating the maximum likelihood detection. Inspired by the dependency between the adjacent subcarriers, a computationally efficient joint detection scheme is developed. Employing the proposed equalizer, an iterative receiver is also constructed and the detection performance is evaluated through simulations over measured multipath channels. Our results reveal that the proposed receiver can achieve significant performance improvement compared to two traditional baseline schemes.

preprint2020arXiv

Direct observation of handedness-dependent quasiparticle interference in the two enantiomers of topological chiral semimetal PdGa

It has recently been proposed that combining chirality with topological band theory may result in a totally new class of fermions. These particles have distinct properties: they appear at high symmetry points of the reciprocal lattice, they are connected by helicoidal surface Fermi arcs spanning the entire Brillouin zone, and they are expected to exist over a large energy range. Additionally, they are expected to give rise to totally new effects forbidden in other topological classes. Understanding how these unconventional quasiparticles propagate and interact is crucial for exploiting their potential in innovative chirality-driven device architectures. These aspects necessarily rely on the detection of handedness-dependent effects in the two enantiomers and remain largely unexplored so far. Here, we use scanning tunnelling microscopy to visualize the electronic properties of both enantiomers of the prototypical chiral topological semimetal PdGa at the atomic scale. We reveal that the surface-bulk connectivity goes beyond ensuring the existence of topological Fermi arcs, but also determines how quasiparticles propagate and scatter at impurities, giving rise to chiral quantum interference patterns of opposite handedness and opposite spiralling direction for the two different enantiomers, a direct manifestation of the change of sign of their Chern number. Additionally, we demonstrate that PdGa remains topologically non-trivial over a large energy range, experimentally detecting Fermi arcs in an energy window of more than 1.6 eV symmetrically centerd around the Fermi level. These results are rationalized in terms of the deep connection between chirality in real and reciprocal space in this class of materials, and they allow to identify PdGa as an ideal topological chiral semimetal.

preprint2020arXiv

Distances and statistics of local molecular clouds in the first Galactic quadrant

We present an analysis of local molecular clouds (-6 <VLSR< 30 km/s, i.e., <1.5 kpc) in the first Galactic quadrant (25.8° <l<49.7° and |b|<5°), a pilot region of the Milky Way Imaging Scroll Painting (MWISP) CO survey. Using the SCIMES algorithm to divide large molecular clouds into moderate-sized ones, we determined distances to 28 molecular clouds with the background-eliminated extinction-parallax (BEEP) method using the Gaia DR2 parallax measurements aided by AG and AV, and the distance ranges from 250 pc to about 1.5 kpc. These incomplete distance samples indicate a linear relationship between the distance and the radial velocity (VLSR) with a scatter of 0.16 kpc, and kinematic distances may be systematically larger for local molecular clouds. In order to investigate fundamental properties of molecular clouds, such as the total sample number, the linewidth, the brightness temperature, the physical area, and the mass, we decompose the spectral cube using the DBSCAN algorithm. Post selection criteria are imposed on DBSCAN clusters to remove the noise contamination, and we found that the separation of molecular cloud individuals is reliable based on a definition of independent consecutive structures in l-b-V space. The completeness of the local molecular cloud flux collected by the MWISP CO survey is about 80%. The physical area, A, shows a power-law distribution, dN/dA \propto A^{-2.20+/-0.18}, while the molecular cloud mass also follows a power-law distribution but slightly flatter, dN/dM \propto M^{-1.96+/-0.11}.

preprint2020arXiv

Distances to molecular clouds in the second Galactic quadrant

We present distances to 76 medium-sized molecular clouds and an extra large-scale one in the second Galactic quadrant ($104.75^\circ <l<150.25^\circ $ and $|b|<5.25^\circ$), 73 of which are accurately measured for the first time. Molecular cloud samples are drawn from $l$-$b$-$V$ space ($-95 < V_{\rm LSR}< 25$ \kms) with the density-based spatial clustering of applications with noise (DBSCAN) algorithm, and distances are measured with the background-eliminated extinction-parallax (BEEP) method using extinctions and Gaia DR2 parallaxes. The range of measured distances to 76 molecular clouds is from 211 to 2631 pc, and the extra large-scale molecular cloud appears to be a coherent structure at about 1 kpc, across about 40° ($\sim$700 pc) in the Galactic longitude.

preprint2020arXiv

Emerging chiral edge states from the confinement of a magnetic Weyl semimetal in Co$_3$Sn$_2$S$_2$

The quantum anomalous Hall effect (QAHE) and magnetic Weyl semimetals (WSMs) are topological states induced by intrinsic magnetic moments and spin-orbit coupling. Their similarity suggests the possibility of achieving the QAHE by dimensional confinement of a magnetic WSM along one direction. In this study, we investigate the emergence of the QAHE in the two-dimensional (2D) limit of magnetic WSMs due to finite size effects in thin films and step-edges. We demonstrate the feasibility of this approach with effective models and real materials. To this end, we have chosen the layered magnetic WSM Co$_3$Sn$_2$S$_2$, which features a large anomalous Hall conductivity and anomalous Hall angle in its 3D bulk, as our material candidate. In the 2D limit of Co$_3$Sn$_2$S$_2$ two QAHE states exist depending on the stoichiometry of the 2D layer. One is a semimetal with a Chern number of 6, and the other is an insulator with a Chern number of 3. The latter has a band gap of 0.05 eV, which is much larger than that in magnetically doped topological insulators. Our findings naturally explain the existence of chiral states in step edges of bulk Co$_3$Sn$_2$S$_2$ which habe been reported in a recent experiment at $T = 4K$ and present a realistic avenue to realize QAH states in thin films of magnetic WSMs.

preprint2020arXiv

Extended Stochastic Gradient MCMC for Large-Scale Bayesian Variable Selection

Stochastic gradient Markov chain Monte Carlo (MCMC) algorithms have received much attention in Bayesian computing for big data problems, but they are only applicable to a small class of problems for which the parameter space has a fixed dimension and the log-posterior density is differentiable with respect to the parameters. This paper proposes an extended stochastic gradient MCMC lgoriathm which, by introducing appropriate latent variables, can be applied to more general large-scale Bayesian computing problems, such as those involving dimension jumping and missing data. Numerical studies show that the proposed algorithm is highly scalable and much more efficient than traditional MCMC algorithms. The proposed algorithms have much alleviated the pain of Bayesian methods in big data computing.

preprint2020arXiv

Fermi Surface Geometry

Motivated by the famous and pioneering mathematical works by Perelman, Hamilton, and Thurston, we introduce the concept of using modern geometrical mathematical classifications of multi-dimensional manifolds to characterize electronic structures and predict non-trivial electron transport phenomena. Here we develop the Fermi Surface Geometry Effect (FSGE), using the concepts of tangent bundles and Gaussian curvature as an invariant. We develop an index, $\mathbb{H}_F$, for describing the the "hyperbolicity" of the Fermi Surface (FS) and show a universal correlation (R$^2$ = 0.97) with the experimentally measured intrinsic anomalous Hall effect of 16 different compounds spanning a wide variety of crystal, chemical, and electronic structure families, including where current methods have struggled. This work lays the foundation for developing a complete theory of geometrical understanding of electronic (and by extension magnonic and phononic) structure manifolds, beginning with Fermi surfaces. In analogy to the broad impact of topological physics, the concepts begun here will have far reaching consequences and lead to a paradigm shift in the understanding of electron transport, moving it to include geometrical properties of the E vs k manifold as well as topological properties.

preprint2020arXiv

Giant anomalous Hall and Nernst effect in magnetic cubic Heusler compounds

The interplay of magnetism and topology opens up the possibility for exotic linear response effects, such as the anomalous Hall effect and the anomalous Nernst effect, which can be strongly enhanced by designing a strong Berry curvature in the electronic structure. It is even possible to utilize this to create a quantum anomalous Hall state at high temperatures by reducing the dimensionality. Magnetic Heusler compounds are a promising class of materials for this purpose because they grow in thin films, have a high Curie temperature, and their electronic structure hosts strong topological features. Here, we provide a comprehensive study of the intrinsic anomalous transport for magnetic cubic full Heusler compounds and we illustrate that several Heusler compounds outperform the best so far reported materials. The results reveal the importance of symmetries, especially mirror planes, in combination with magnetism for giant anomalous Hall and Nernst effects, which should be valid in general for linear responses (spin Hall effect, spin orbital torque, etc.) dominated by intrinsic contributions.

preprint2020arXiv

In situ modification of delafossite type PdCoO2 bulk single crystal for reversible hydrogen sorption and fast hydrogen evolution

The observation of extraordinarily high conductivity in delafossite-type PdCoO2 is of great current interest, and there is some evidence that electrons behave like a fluid when flowing in bulk crystals of PdCoO2. Thus, this material is an ideal platform for the study of the electron transfer processes in heterogeneous reactions. Here, we report the use of bulk single crystal PdCoO2 as a promising electrocatalyst for hydrogen evolution reactions (HERs). An overpotential of only 31 mV results in a current density of 10 mA cm^(-2), accompanied by high long-term stability. We have precisely determined that the crystal surface structure is modified after electrochemical activation with the formation of strained Pd nanoclusters in the surface layer. These nanoclusters exhibit reversible hydrogen sorption and desorption, creating more active sites for hydrogen access. The bulk PdCoO2 single crystal with ultra-high conductivity, which acts as a natural substrate for the Pd nanoclusters, provides a high-speed channel for electron transfer

preprint2020arXiv

Intrinsic anomalous Hall effect in Ni-substituted magnetic Weyl semimetal Co3Sn2S2

Topological materials have recently attracted considerable attention among materials scientists as their properties are predicted to be protected against perturbations such as lattice distortion and chemical substitution. However, any experimental proof of such robustness is still lacking. In this study, we experimentally demonstrate that the topological properties of the ferromagnetic kagome compound Co3Sn2S2 are preserved upon Ni substitution. We systematically vary the Ni content in Co3Sn2S2 single crystals and study their magnetic and anomalous transport properties. For the intermediate Ni substitution, we observe a remarkable increase in the coercive field while still maintaining significant anomalous Hall conductivity. The large anomalous Hall conductivity of these compounds is intrinsic, consistent with first-principle calculations, which proves its topological origin. Our results can guide further studies on the chemical tuning of topological materials for better understanding.

preprint2020arXiv

Large Nernst Power Factor over a Broad Temperature Range in Polycrystalline Weyl Semimetal NbP

The discovery of topological materials has provided new opportunities to exploit advanced materials for heat-to-electricity energy conversion as they share many common characteristics with thermoelectric materials. In this work, we report the magneto-thermoelectric properties and Nernst effect of the topological Weyl semimetal NbP. We find that polycrystalline, bulk NbP shows a significantly larger Nernst thermopower than its conventional thermopower under magnetic field. As a result, a maximum Nernst power factor of ~ 35*10-4 Wm-1K-2 is achieved at 9 T and 136 K, which is 4 times higher than its conventional power factor and is also comparable to that of state-of-the-art thermoelectrics. Moreover, the Nernst power factor maintains relatively large value over a broad temperature range. These results highlight that the enhancement of thermoelectric performance can be achieved in topological semimetals based on the Nernst effect and transverse transport.

preprint2020arXiv

Linear Response in Topological Materials

The discovery of topological insulators and semimetals has opened up a new perspective to understand materials. Owing to the special band structure and enlarged Berry curvature, the linear responses are strongly enhanced in topological materials. The interplay of topological band structure and symmetries plays a crucial role for designing new materials with strong and exotic new electromagnetic responses and provides promising mechanisms and new materials for the next generation of technological applications. We review the fundamental concept of linear responses in topological materials from the symmetry point of view and discuss their potential applications.

preprint2020arXiv

Local Molecular Gas toward the Aquila Rift Region

We present the results of a ~250 square degrees CO mapping (+26d<l<+50d and -5d<b<+5d) toward the Aquila Rift region at a spatial resolution of ~50" and a grid spacing of 30". The high dynamic range CO maps with a spectral resolution of ~0.2km/s display highly structured molecular cloud (MC) morphologies with valuable velocity information, revealing complex spatial and dynamical features of the local molecular gas. In combination with the MWISP CO data and the Gaia DR2, distances of the main MC structures in the local ISM are well determined toward the Aquila Rift. We find that the total MC mass within 1 kpc is about >4.1x10^5 Msun in the whole region. In fact, the mass of the molecular gas is dominated by the W40 giant molecular cloud (GMC) at ~474 pc (~1.4x10^5 Msun) and the GMC complex G036.0+01.0 at ~560-670 pc (~2.0x10^5 Msun), while the MCs at ~220-260pc have gas masses of 10^2-10^3 Msun. Interestingly, an ~80pc long filamentary MC G044.0-02.5 at a distance of ~404 pc shows a systematic velocity gradient along and perpendicular to the major axis of the filament. The HI gas with the enhanced emission has the similar spatial morphologies and velocity features compared to the corresponding CO structure, indicating that the large-scale converging HI flows are probably responsible for the formation of the MC. Meanwhile, the long filamentary MC consists of many sub-filaments with the lengths ranging from ~0.5 pc to several pc, as well as prevalent networks of filaments in other large-scale local MCs.

preprint2020arXiv

Observation of giant spin-split Fermi-arc with maximal Chern number in the chiral topological semimetal PtGa

Non-symmorphic chiral topological crystals host exotic multifold fermions, and their associated Fermi arcs helically wrap around and expand throughout the Brillouin zone between the high-symmetry center and surface-corner momenta. However, Fermi-arc splitting and realization of the theoretically proposed maximal Chern number rely heavily on the spin-orbit coupling (SOC) strength. In the present work, we investigate the topological states of a new chiral crystal, PtGa, which has the strongest SOC among all chiral crystals reported to date. With a comprehensive investigation using high-resolution angle-resolved photoemission spectroscopy, quantum-oscillation measurements, and state-of-the-art ab initio calculations, we report a giant SOC-induced splitting of both Fermi arcs and bulk states. Consequently, this study experimentally confirms the realization of a maximal Chern number equal to |4| for the first time in multifold fermionic systems, thereby providing a platform to observe large-quantized photogalvanic currents in optical experiments.

preprint2020arXiv

Resource Allocation for IRS-assisted Full-Duplex Cognitive Radio Systems

In this paper, we investigate the resource allocation design for intelligent reflecting surface (IRS)-assisted full-duplex (FD) cognitive radio systems. In particular, a secondary network employs an FD base station (BS) for serving multiple half-duplex downlink (DL) and uplink (UL) users simultaneously. An IRS is deployed to enhance the performance of the secondary network while helping to mitigate the interference caused to the primary users (PUs). The DL transmit beamforming vectors and the UL receive beamforming vectors at the FD BS, the transmit power of the UL users, and the phase shift matrix at the IRS are jointly optimized for maximization of the total sum rate of the secondary system. The design task is formulated as a non-convex optimization problem taking into account the imperfect knowledge of the PUs' channel state information (CSI) and their maximum interference tolerance. Since the maximum interference tolerance constraint is intractable, we apply a safe approximation to transform it into a convex constraint. To efficiently handle the resulting approximated optimization problem, which is still non-convex, we develop an iterative block coordinate descent (BCD)-based algorithm. This algorithm exploits semidefinite relaxation, a penalty method, and successive convex approximation and is guaranteed to converge to a stationary point of the approximated optimization problem. Our simulation results do not only reveal that the proposed scheme yields a substantially higher system sum rate for the secondary system than several baseline schemes, but also confirm its robustness against CSI uncertainty. Besides, our results illustrate the tremendous potential of IRS for managing the various types of interference arising in FD cognitive radio networks.

preprint2020arXiv

Searching for Molecular Outflows with Support Vector Machines: Dark Cloud Complex in Cygnus

We present a survey of molecular outflows across the dark cloud complex in the Cygnus region, based on 46.75 deg^2 field of CO isotopologues data from Milky Way Imaging Scroll Painting (MWISP) survey. A supervised machine learning algorithm, Support Vector Machine (SVM), is introduced to accelerate our visual assessment of outflow features in the data cube of 12CO and 13CO J = 1-0 emission. A total of 130 outflow candidates are identified, of which 77 show bipolar structures and 118 are new detections. Spatially, these outflows are located inside dense molecular clouds and some of them are found in clusters or in elongated linear structures tracing the underlying gas filament morphology. Along the line of sight, 97, 31, and 2 candidates reside in the Local, Perseus, and Outer arm, respectively. Young stellar objects as outflow drivers are found near most outflows, while 36 candidates show no associated source. The clusters of outflows that we detect are inhomogeneous in their properties; nevertheless, we show that the outflows cannot inject turbulent energy on cloud scales. Instead, at best, they are restricted to affecting the so called "clump" and "core" scales, and this only on short (~0.3 Myr) estimated timescales. Combined with outflow samples in the literature, our work shows a tight outflow mass-size correlation.

preprint2020arXiv

Spin-orbitronic materials with record spin-charge conversion from high-throughput ab initio calculations

The spin Hall effect (SHE) is an important spintronics phenomenon, which allows transforming a charge current into a spin current and vice versa without the use of magnetic materials or magnetic fields. To gain new insight into the physics of the SHE and to identify materials with a substantial spin Hall conductivities (SHC), we performed high-precision, high-throughput ab initio electronic structure calculations of the intrinsic SHC for over 20,000 non-magnetic crystals. The calculations reveal a strong and unexpected relation of the magnitude of the SHC with the crystalline symmetry, which we show exists because large SHC is typically associated with mirror symmetry protected nodal lines in the band structure. From the new developed database, we identify new promising materials. This includes eleven materials with a SHC comparable or even larger than that the up to now record Pt as well as materials with different types of spin currents, which could allow for new types of spin-obitronics devices.

preprint2020arXiv

Strong anomalous Nernst effect in collinear magnetic Weyl semimetals without net magnetic moments

We predict a large anomalous Nernst effect in the inverse Heusler compensated ferrimagnets Ti$_2$Mn$X$ ($X$=Al,Ga,In) with vanishing net magnetic moments. Though the net magnetic moment is zero, the Weyl points in these systems lead to a large anomalous Nernst conductivity (ANC) due to the lack of a magnetic sublattice that inverses the sign of the Berry curvature. In comparison to the noncollinear antiferromagnets Mn$_3$Sn and Mn$_3$Ge, the high ANC stems almost entirely from the Weyl points in this class of compounds, and thus, it is topologically protected. This work shows for the first time a large ANC with zero net magnetic moments in collinear systems, which is helpful for comprehensive understanding of the thermoelectric effect in zero-moment magnetic materials and its further applications.

preprint2020arXiv

Synergistically creating sulfur vacancies in semimetal-supported amorphous MoS2 for efficient hydrogen evolution

The presence of elemental vacancies in materials is inevitable according to statistical thermodynamics, which will decide the chemical and physical properties of the investigated system. However, the controlled manipulation of vacancies for specific applications is a challenge. Here we report a facile method for creating large concentrations of S vacancies in the inert basal plane of MoS2 supported on semimetal CoMoP2. With a small applied potential, S atoms can be removed in the form of H2S due to the optimized free energy of formation. The existence of vacancies favors electron injection from the electrode to the active site by decreasing the contact resistance. As a consequence, the activity is increased by 221 % with the vacancy-rich MoS2 as electrocatalyst for hydrogen evolution reaction (HER). A small overpotential of 75 mV is needed to deliver a current density of 10 mA cm-2, which is considered among the best values achieved for MoS2. It is envisaged that this work may provide a new strategy for utilizing the semimetal phase for structuring MoS2 into a multi-functional material.

preprint2020arXiv

Thickness dependence of the anomalous Nernst effect and the Mott relation of Weyl-semimetal Co2MnGa thin films

We report a robust anomalous Nernst effect in Co2MnGa thin films in the thickness regime between 20 and 50 nm. The anomalous Nernst coefficient varied in the range of -2.0 to -3.0 uV/K at 300 K. We demonstrate that the anomalous Hall and Nernst coefficients exhibit similar behavior and fulfill the Mott relation. We simultaneously measure all four transport coefficients of the longitudinal resistivity, transversal resistivity, Seebeck coefficient, and anomalous Nernst coefficient. We connect the values of the measured and calculated Nernst conductivity by using the remaining three magneto-thermal transport coefficients, where the Mott relation is still valid. The intrinsic Berry curvature dominates the transport due to the relation between the longitudinal and transversal transport. Therefore, we conclude that the Mott relationship is applicable to describe the magneto-thermoelectric transport in Weyl semimetal Co2MnGa as a function of film thickness.

preprint2020arXiv

Zero-field Nernst effect in a ferromagnetic kagome-lattice Weyl-semimetal Co3Sn2S2

The discovery of magnetic topological semimetals recently attracted significant attention in the field of topology and thermoelectrics. In a thermoelectric device based on the Nernst geometry, an external magnet is required as an integral part. We report a zero-field Nernst effect in a newly discovered hard-ferromagnetic kagome-lattice Weyl-semimetal Co3Sn2S2. A maximum Nernst thermopower of 3 microvolt/K at 80 K in zero field is achieved in this magnetic Weyl-semimetal. Our results demonstrate the possibility of application of topological hard magnetic semimetals for low-power thermoelectric devices based on the Nernst effect and are thus valuable for the comprehensive understanding of transport properties in this class of materials.

preprint2019arXiv

Difference frequency generation in topological semimetals

When two lasers are applied to a non-centrosymmetric material, light can be generated at the difference of the incoming frequencies $Δω$, a phenomenon known as difference frequency generation (DFG), well characterized in semiconductors. In this work, we derive a general expression for DFG in metals, which we use to show that the DFG in chiral topological semimetals under circular polarized light is quantized in units of $e^3/h^2$ and independent of material parameters, including the scattering time $τ$, when $Δω\gg τ^{-1}$. In this regime, DFG provides a simpler alternative to measure a quantized response in metals compared to previous proposals based on single frequency experiments. Our general derivation unmasks, in addition, a free-carrier contribution to the circular DFG beyond the semiclassical one. This contribution can be written as a Fermi surface integral, features strong frequency dependence, and oscillates with a $π/2$ shift with respect to the quantized contribution. We make predictions for the circular DFG of chiral and non-chiral materials using generic effective models, and ab-initio calculations for TaAs and RhSi. Our work provides a complete picture of the DFG in the length gauge approach, in the clean, non-interacting limit, and highlights a plausible experiment to measure topologically quantizated photocurrents in metals.

preprint2019arXiv

Learning-based real-time method to looking through scattering medium beyond the memory effect

Strong scattering medium brings great difficulties to optical imaging, which is also a problem in medical imaging and many other fields. Optical memory effect makes it possible to image through strong random scattering medium. However, this method also has the limitation of limited angle field-of-view (FOV), which prevents it from being applied in practice. In this paper, a kind of practical convolutional neural network called PDSNet is proposed, which effectively breaks through the limitation of optical memory effect on FOV. Experiments is conducted to prove that the scattered pattern can be reconstructed accurately in real-time by PDSNet, and it is widely applicable to retrieve complex objects of random scales and different scattering media.

preprint2019arXiv

Magnetic semimetals and quantized anomalous Hall effect in EuB6

Exploration of the novel relationship between magnetic order and topological semimetals has received enormous interest in a wide range of both fundamental and applied research. Here we predict that soft ferromagnetic (FM) material EuB6 can achieve multiple topological semimetal phases by simply tuning the direction of the magnetic moment. Explicitly, EuB6 is a topological nodal-line semimetal when the moment is aligned along the [001] direction, and it evolves into a Weyl semimetal with three pairs of Weyl nodes by rotating the moment to the [111] direction. Interestingly, we identify a novel semimetal phase featuring the coexistence of a nodal line and Weyl nodes with the moment in the [110] direction. Topological surface states and anomalous Hall conductivity, which is sensitive to the magnetic order, have been computed and are expected to be experimentally observable. Large-Chern-number quantum anomalous Hall effect can be realized in its [111]-oriented quantum-well structure.

preprint2018arXiv

Anomalous Nernst effect beyond the magnetization scaling relation in the ferromagnetic Heusler compound Co$_2$MnGa

Applying a temperature gradient in a magnetic material generates a voltage that is perpendicular to both the heat flow and the magnetization. This is the anomalous Nernst effect (ANE) which was thought to be proportional to the value of the magnetization for a long time. However, more generally, the ANE has been predicted to originate from a net Berry curvature of all bands near the Fermi level. Subsequently, a large anomalous Nernst thermopower has recently been observed in topological materials with no net magnetization but large net Berry curvature around E$_F$. These experiments clearly fall outside the scope of the conventional magnetization-model of the ANE, but a significant question remains: Can the value of the ANE in topological ferromagnets exceed the highest values observed in conventional ferromagnets? Here, we report a remarkably high anomalous Nernst thermopower value of ~6.0 μV/K at 1 T in the ferromagnetic topological Heusler compound Co$_2$MnGa at room temperature, which is around 7-times larger than any anomalous Nernst thermopower value ever reported for a conventional ferromagnet. Combined electrical, thermoelectric and first-principles calculations reveal that this high value of the ANE arises from a large net Berry curvature near the Fermi level associated with nodal lines and Weyl points.

preprint2016arXiv

An Outer Arm in the Second Galactic Quadrant: Structure

The lack of arm tracers, especially the remote tracers, is one of the most difficult problems preventing us from studying the structure of the Milky Way. Fortunately, with its high-sensitivity CO survey, the Milky Way Imaging Scroll Painting (MWISP) project offers such an opportunity. Since completing about one-third of its mission, an area of l=[100,150] deg, b=[-3,5] deg has nearly been covered. The Outer arm of the Milky Way first clearly revealed its shape in the second galactic quadrant in the form of molecular gas --- this is the first time that the Outer arm has been reported in such a large-scale mapping of molecular gas. Using the 115 GHz 12CO(1-0) data of MWISP at the LSR velocity ~= [-100,-60] km s^-1 and in the area mentioned above, we have detected 481 molecular clouds in total, and among them 332 (about 69\%) are newly detected and 457 probably belong to the Outer arm. The total mass of the detected Outer arm clouds is ~ 3.1*10^6 M_sun. Assuming that the spiral arm is a logarithmic spiral, the pitch angle is fitted as ~ 13.1 deg. Besides combining both the CO data from MWISP and the 21 cm HI data from the Canadian Galactic Plane Survey (CGPS), the gas distribution, warp, and thickness of the Outer arm are also studied.

preprint2016arXiv

Energies and E1, M2 transition rates for Mo XXX

Based on relativistic wavefunctions from multiconfigurational Dirac-Hartree-Fock (MCDHF) and configuration interaction calculations, energy levels, radiative rates, and wavelengths are evaluated for all levels of 3s$^2$3p, 3s3p$^2$, 3s$^2$3d, 3p$^3$, 3s3p3d, 3p$^2$3d and 3s3d$^2$ configurations of Al-like Molybdenum ion (Mo XXX). Transition probabilities are reported for E1 and M2 transitions from the ground level. The valence-valence and core-valence correlation effects are accounted for in a systematic way. Breit interactions and quantum electrodynamics effects are estimated in subsequent relativistic configuration interaction calculations. Comparisons are made with the available data in the literature and good agreement has been found which confirms the reliability of our results.

preprint2016arXiv

Facet-dependent giant spin orbit torque in single crystalline antiferromagnetic Ir-Mn / ferromagnetic permalloy bilayers

There has been considerable interest in spin-orbit torques for the purpose of manipulating the magnetization of ferromagnetic (FM) films or nano-elements for spintronic technologies. Spin-orbit torques are derived from spin currents created from charge currents in materials with significant spin-orbit coupling that diffuse into an adjacent FM material. There have been intensive efforts to search for candidate materials that exhibit large spin Hall angles, i.e. efficient charge to spin current conversion. Here we report, using spin torque ferromagnetic resonance, the observation of a giant spin Hall angle of up to ~0.35 in (100) oriented single crystalline antiferromagnetic (AF) IrMn3 thin films, coupled to ferromagnetic permalloy layers, and a spin Hall angle that is about three times smaller in (111) oriented films. For the (100) oriented samples we show that the magnitude of the spin Hall angle can be significantly changed by manipulating the populations of the various AF domains through field annealing. Using ab-initio calculations we show that the triangular AF structure of IrMn3 gives rise to a substantial intrinsic spin Hall conductivity that is three times larger for the (100) than for the (111) orientations, consistent with our experimental findings.

preprint2016arXiv

Interaction between the Supernova Remnant HB 3 and the Nearby Star-Forming Region W3

We performed millimeter observations in CO lines toward the supernova remnant (SNR) HB 3. Substantial molecular gas around -45 km s^-1 is detected in the conjunction region between the SNR HB 3 and the nearby W3 complex. This molecular gas is distributed along the radio continuum shell of the remnant. Furthermore, the shocked molecular gas indicated by line wing broadening features is also distributed along the radio shell and inside it. By both morphological correspondence and dynamical evidence, we confirm that the SNR HB 3 is interacting with the -45 km s^-1 molecular cloud (MC), in essence, with the nearby H II region/MC complex W3. The red-shifted line wing broadening features indicate that the remnant is located at the nearside of the MC. With this association, we could place the remnant at the same distance as the W3/W4 complex, which is 1.95 +- 0.04 kpc. The spatial distribution of aggregated young stellar object candidates (YSOc) shows a correlation to the shocked molecular strip associated with the remnant. We also find a binary clump of CO at (l = 132.94 deg, b = 1.12 deg) around -51.5 km s^-1 inside the projected extent of the remnant, and it is associated with significant mid-infrared (mid-IR) emission. The binary system also has a tail structure resembling the tidal tails of interacting galaxies. According to the analysis of CO emission lines, the larger clump in this binary system is about stable, and the smaller clump is significantly disturbed.

preprint2016arXiv

Joint Power and Subcarrier Allocation for Multicarrier Full-Duplex Systems

In this paper, we investigate resource allocation for multicarrier communication systems employing a full-duplex base station for serving multiple half-duplex downlink and uplink users simultaneously. We study the joint power and subcarrier allocation design for the maximization of the weighted sum throughput of the system. The algorithm design is formulated as a mixed combinatorial non-convex optimization problem and obtaining the globally optimal solution may require prohibitively high computational complexity. Therefore, a low computational complexity suboptimal iterative algorithm exploiting successive convex approximation is proposed to obtain a locally optimal solution. Simulation results confirm that the proposed suboptimal algorithm obtains a substantial improvement in system throughput compared to various existing baseline schemes.

preprint2016arXiv

Large anomalous Hall effect driven by non-vanishing Berry curvature in non-collinear antiferromagnetic Mn3Ge

It is well established that the anomalous Hall effect that a ferromagnet displays scales with its magnetization. Therefore, an antiferromagnet that has no net magnetization should exhibit no anomalous Hall effect. Here we show that the non-collinear triangular antiferromagnet Mn3Ge exhibits a large anomalous Hall effect comparable to that of ferromagnetic metals; the magnitude of the anomalous conductivity is 500 per ohm per cm at 2 K and 50 per ohm per cm at room temperature. The angular dependence of the anomalous Hall effect measurements confirm that the small residual in-plane magnetic moment has no role in the observed effect. Our theoretical calculations demonstrate that the large anomalous Hall effect in Mn3Ge originates from a non-vanishing Berry curvature that arises from the chiral spin structure, and which also results in a large spin Hall effect, comparable to that of platinum. The present results pave the way to realize room temperature antiferromagnetic spintronics and spin Hall effect based data storage devices.

preprint2016arXiv

Negative magnetoresistance without well-defined chirality in the Weyl semimetal TaP

Weyl semimetals (WSMs) are topological quantum states wherein the electronic bands linearly disperse around pairs of nodes, the Weyl points, of fixed (left or right) chirality. The recent discovery of WSM materials triggered an experimental search for the exotic quantum phenomenon known as the chiral anomaly. Via the chiral anomaly nonorthogonal electric and magnetic fields induce a chiral density imbalance that results in an unconventional negative longitudinal magnetoresistance, the chiral magnetic effect. Recent theoretical work suggests that this effect does not require well-defined Weyl nodes. Experimentally however, it remains an open question to what extent it survives when chirality is not well-defined, for example when the Fermi energy is far away from the Weyl points. Here, we establish the detailed Fermi surface topology of the recently identified WSM TaP via a combination of angle-resolved quantum oscillation spectra and band structure calculations. The Fermi surface forms spin-polarized banana-shaped electron and hole pockets attached to pairs of Weyl points. Although the chiral anomaly is therefore ill-defined, we observe a large negative magnetoresistance (NMR) appearing for collinear magnetic and electric fields as observed in other WSMs. In addition, we show experimental signatures indicating that such longitudinal magnetoresistance measurements can be affected by an inhomogeneous current distribution inside the sample in a magnetic field. Our results provide a clear framework how to detect the chiral magnetic effect.

preprint2016arXiv

Optimal Joint Power and Subcarrier Allocation for Full-Duplex Multicarrier Non-Orthogonal Multiple Access Systems

In this paper, we investigate resource allocation algorithm design for multicarrier non-orthogonal multiple access (MC-NOMA) systems employing a full-duplex (FD) base station (BS) for serving multiple half-duplex (HD) downlink (DL) and uplink (UL) users simultaneously. The proposed algorithm is obtained from the solution of a non-convex optimization problem for the maximization of the weighted sum system throughput. We apply monotonic optimization to develop an optimal joint power and subcarrier allocation policy. The optimal resource allocation policy serves as a system performance benchmark due to its high computational complexity. Furthermore, a suboptimal iterative scheme based on successive convex approximation is proposed to strike a balance between computational complexity and optimality. Our simulation results reveal that the proposed suboptimal algorithm achieves a close-to-optimal performance. Besides, FD MC-NOMA systems employing the proposed resource allocation algorithms provide a substantial system throughput improvement compared to conventional HD multicarrier orthogonal multiple access (MC-OMA) systems and other baseline schemes. Also, our results unveil that the proposed FD MC-NOMA systems achieve a fairer resource allocation compared to traditional HD MC-OMA systems.

preprint2016arXiv

Optimal Joint Power and Subcarrier Allocation for MC-NOMA Systems

In this paper, we investigate the resource allocation algorithm design for multicarrier non-orthogonal multiple access (MC-NOMA) systems. The proposed algorithm is obtained from the solution of a non-convex optimization problem for the maximization of the weighted system throughput. We employ monotonic optimization to develop the optimal joint power and subcarrier allocation policy. The optimal resource allocation policy serves as a performance benchmark due to its high complexity. Furthermore, to strike a balance between computational complexity and optimality, a suboptimal scheme with low computational complexity is proposed. Our simulation results reveal that the suboptimal algorithm achieves a close-to-optimal performance and MC-NOMA employing the proposed resource allocation algorithm provides a substantial system throughput improvement compared to conventional multicarrier orthogonal multiple access (MC-OMA).

preprint2016arXiv

Quantum oscillations and the Fermi-surface topology of the Weyl semimetal NbP

The Weyl semimetal NbP was found to exhibit topological Fermi arcs and exotic magneto-transport properties. Here, we report on magnetic quantum-oscillation measurements on NbP and construct the 3D Fermi surface with the help of band-structure calculations. We reveal a pair of spin-orbit-split electron pockets at the Fermi energy and a similar pair of hole pockets, all of which are strongly anisotropic. The Fermi surface well explains the linear magnetoresistance observed in high magnetic fields by the quantum-limit scenario. The Weyl points that are located in the $k_z \approx π/c$ plane are found to exist 5 meV above the Fermi energy. Therefore, we predict that the chiral anomaly effect can be realized in NbP by electron doping to drive the Fermi energy to the Weyl points.

preprint2016arXiv

Rectangular Tantalum Carbide Halides TaCX (X = Cl, Br, I) monolayer: Novel Large-Gap Quantum Spin Hall Insulator

Quantum spin Hall (QSH) insulators possess edge states that are topologically protected from backscattering. However, known QSH materials (e.g. HgTe/CdTe and InAs/GaSb quantum wells) exhibit very small energy gap and only work at low temperature, hindering their applications for room temperature devices. Based on the first-principles calculations, we predict a novel family of QSH insulators in monolayer tantalum carbide halide TaCX (X = Cl, Br, and I) with unique rectangular lattice and large direct energy gaps larger than 0.2 eV, accurately, 0.23$-$0.36 eV. The mechanism for 2D QSH effect in this system originates from a intrinsic d$-$d band inversion, different from conventional QSH systems with band inversion between s$-$p or p$-$p orbitals. Further, stain and intrinsic electric field can be used to tune the electronic structure and enhance the energy gap. TaCX nanoribbon, which has single-Dirac-cone edge states crossing the bulk band gap, exhibits a linear dispersion with a high Fermi velocity comparable to that of graphene. These 2D materials with considerable nontrivial gaps promise great application potential in the new generation of dissipationless electronics and spintronics.

preprint2016arXiv

Robust Resource Allocation for Full-Duplex Cognitive Radio Systems

In this paper, we investigate resource allocation algorithm design for full-duplex (FD) cognitive radio systems. The secondary network employs a FD base station for serving multiple half-duplex downlink and uplink users simultaneously. We study the resource allocation design for minimizing the maximum interference leakage to primary users while providing quality of service for secondary users. The imperfectness of the channel state information of the primary users is taken into account for robust resource allocation algorithm design. The algorithm design is formulated as a non-convex optimization problem and solved optimally by applying semidefinite programming (SDP) relaxation. Simulation results not only show the significant reduction in interference leakage compared to baseline schemes, but also confirm the robustness of the proposed algorithm.

preprint2016arXiv

Superconductivity in Weyl Semimetal Candidate MoTe2

In recent years, layered transition-metal dichalcogenides (TMDs) have attracted considerable attention because of their rich physics; for example, these materials exhibit superconductivity, charge density waves, and the valley Hall effect. As a result, TMDs have promising potential applications in electronics, catalysis, and spintronics. Despite the fact that the majority of related research focuses on semiconducting TMDs (e.g., MoS2), the characteristics of WTe2 are provoking strong interest in semimetallic TMDs with extremely large magnetoresistance, pressure-driven superconductivity, and the predicted Weyl semimetal (WSM) state. In this work, we investigate the sister compound of WTe2, MoTe2, which is also predicted to be a WSM and a quantum spin Hall insulator in bulk and monolayer form, respectively. We find that MoTe2 exhibits superconductivity with a resistive transition temperature Tc of 0.1 K. The application of a small pressure (such as 0.4 GPa) is shown to dramatically enhance the Tc, with a maximum value of 8.2 K being obtained at 11.7 GPa (a more than 80-fold increase in Tc). This yields a dome-shaped superconducting phase diagram. Further explorations into the nature of the superconductivity in this system may provide insights into the interplay between strong correlations and topological physics.

preprint2016arXiv

The Distant Outer Gas Arm Between l=35d and l=45d

The Galactic plane has been mapped from l=34.75d to 45.25d and b=-5.25d to 5.25d in the CO (J=1-0) emission with the 13.7 m telescope of the Purple Mountain Observatory. The unbiased survey covers a large area of 100 square degrees sampled every 30" with a velocity resolution of ~0.2km/s. In this paper, we present the result of an unbiased CO survey of this longitude and latitude range in the velocity range from -60km/s to -10km/s. Over 500 molecular clouds (MCs) are picked out from the 12CO emission, and 131 of these MCs are associated with 13CO emission.The distant MCs, which lie beyond the solar circle and are mostly concentrated in the Galactic plane, trace the large-scale molecular gas structure over 10 degrees of Galactic azimuth. We suggest that the CO emission of the segment is from the Outer Arm. The physical mid-plane traced by the Outer Arm seems to be slightly displaced from the IAU-defined plane on a large scale, which could be explained by the warped plane at large Galactocentric distances of >~10 kpc and the apparent tilted mid-plane to the projected IAU-defined plane caused by the Sun's z-height above the disk for distances near and within the Solar circle. If the inner plane of our Galaxy is flat, we can derive an upper limit of the Sun's offset of ~17.1 pc above the physical mid-plane of the Milky Way. We also discuss the correlations between the physical parameters of the distant MCs, which is quite consistent with the result of other studies of this parameter.

preprint2016arXiv

Topological nematic phase in Dirac semi-metals

We study the interaction effect in a three dimensional Dirac semimetal and find that two competing orders, charge-density-wave orders and nematic orders, can be induced to gap the Dirac points. Applying a magnetic field can further induce an instability towards forming these ordered phases. The charge density wave phase is similar as that of a Weyl semimetal while the nematic phase is unique for Dirac semimetals. Gapless zero modes are found in the vortex core formed by nematic order parameters, indicating the topological nature of nematic phases. The nematic phase can be observed experimentally using scanning tunnelling microscopy.

preprint2016arXiv

Visualizing "Fermi arcs" in the Weyl semimetal TaAs

One of the hallmarks of Weyl semi-metals is the existence of unusual topological surface states known as 'Fermi arcs' [1-3]. The formation of these states is guaranteed by the existence of bulk Weyl points with opposite chirality. Tantalum Arsenide (TaAs) [4-9], a member of the newly discovered family of Weyl semi-metals [4,5], harbors a host of non-topological ('trivial') surface states overlapping in energy with the predicted 12 'Fermi arcs'. This overlap poses a major challenge in identifying the signatures of the arcs [10]. Here we harness the inherently distinct spatial structure of trivial and Fermi arc states to visualize the Fermi arcs for the first time using scanning tunneling microscopy. We do so in four distinct ways, each of which highlights a different aspect of their unusual nature. We reveal their relatively isotropic scattering signature, their energy dispersion and its relation to the bulk Weyl points, their deep bulk penetration relative to that of non-topological surface states and their weak coupling to the atomic structure. The latter is obtained by accounting for the spatial structure of the Bloch wavefunction and its effect on the scattering properties of the electrons off lattice defects in general. It thus provides a novel analysis tool for the spectroscopic characterization of electronic wavefunctions using scanning tunneling microscopy.

preprint2016arXiv

Weyl semimetals as catalysts

The search for highly efficient and low-cost catalysts is one of the main driving forces in catalytic chemistry. Current strategies for the catalyst design focus on increasing the number and activity of local catalytic sites, such as the edge-sites of molybdenum disulfides in the hydrogen evolution reaction (HER). Here, we propose and demonstrate a different principle that goes beyond local site optimization by utilizing topological electronic states, a global property of the material, to spur catalytic activity. For HER, we have found excellent catalysts among the transition-metal monopnictides - NbP, TaP, NbAs, and TaAs - which were recently discovered to be topological Weyl semimetals. In addition to the free energy considerations we explore the role of metallicity, carrier mobility and topological electronic states for remarkable HER performance of these materials. The combination of robust topological surface states and large room temperature carrier mobility both of which originate from bulk Dirac bands of the Weyl semimetal appears to be the recipe for good HER catalyst. Our work provides a guiding principle for the discovery of novel catalysts from the emerging field of topological materials.

preprint2015arXiv

A Linear Model for Interval-valued Data

Interval-valued linear regression has been investigated for some time. One of the critical issues is optimizing the balance between model flexibility and interpretability. This paper proposes a linear model for interval-valued data based on the affine operators in the cone $\mathcal{C} = \{ (x, y) \in \mathbb{R}^2 | x \leq y\}$. The resulting new model is shown to have improved flexibility over typical models in the literature, while maintaining a good interpretability. The least squares (LS) estimators of the model parameters are provided in a simple explicit form, which possesses a series of nice properties. Further investigations into the LS estimators shed light on the positive restrictions of a subset of the parameters and their implications on the model validity. A simulation study is presented that supports the theoretical findings. An application to a real data set is also provided to demonstrate the applicability of our model.

preprint2015arXiv

Discovery of a Weyl Semimetal in non-Centrosymmetric Compound TaAs

Three-dimensional (3D) topological Weyl semimetals (TWSs) represent a novel state of quantum matter with unusual electronic structures that resemble both a "3D graphene" and a topological insulator by possessing pairs of Weyl points (through which the electronic bands disperse linearly along all three momentum directions) connected by topological surface states, forming the unique "Fermi-arc" type Fermi-surface (FS). Each Weyl point is chiral and contains half of the degrees of freedom of a Dirac point, and can be viewed as a magnetic monopole in the momentum space. Here, by performing angle-resolved photoemission spectroscopy on non-centrosymmetric compound TaAs, we observed its complete band structures including the unique "Fermi-arc" FS and linear bulk band dispersion across the Weyl points, in excellent agreement with the theoretical calculations. This discovery not only confirms TaAs as the first 3D TWS, but also provides an ideal platform for realizing exotic physical phenomena (e.g. negative magnetoresistance, chiral magnetic effects and quantum anomalous Hall effect) which may also lead to novel future applications.

preprint2015arXiv

Extremely large magnetoresistance and ultrahigh mobility in the topological Weyl semimetal NbP

Recent experiments have revealed spectacular transport properties of conceptually simple semimetals. For example, normal semimetals (e.g. WTe$_2$) have started a new trend to realize a large magnetoresistance, which is the change of electrical resistance by an external magnetic field. Weyl semimetal (WSM) is a topological semimetal with massless relativistic electrons as the three-dimensional analogue of graphene and promises exotic transport properties and surface states, which are different from those of the famous topological insulators (TIs). In this letter, we choose to utilize NbP in magneto-transport experiments because its band structure is on assembly of a WSM and a normal semimetal. Such a combination in NbP indeed leads to the observation of remarkable transport properties, an extremely large magnetoresistance of 850,000 % at 1.85 K (250 % at room temperature) in a magnetic field of 9 T without any signs of saturation, and ultrahigh carrier mobility of 5$\times$10$^6$ cm$^2$ V$^{-1}$ s$^{-1}$ accompanied by strong Shubnikov-de Hass (SdH) oscillations. NbP presents a unique example to consequent design the functionality of materials by combining the topological and conventional phases.

preprint2015arXiv

Graphene-like Dirac states and Quantum Spin Hall Insulators in the square-octagonal MX2 (M=Mo, W; X=S, Se, Te) Isomers

We studied the square-octagonal lattice of the transition metal dichalcogenide MX$_2$ (with $M$=Mo, W; $X$=S, Se and Te), as an isomer of the normal hexagonal compound of MX$_2$. By band structure calculations, we observe the graphene-like Dirac band structure in a rectangular lattice of MX$_2$ with nonsymmorphic space group symmetry. Two bands with van Hove singularity points cross each at the Fermi energy, leading to two Dirac cones that locates at opposite momenta. Spin-orbit coupling can open a nontrivial gap at these Dirac points and induce the quantum spin Hall (QSH) phase, the 2D topological insulator. Here, square-octagonal MX$_2$ structures realize the interesting graphene physics, such as Dirac bands and QSH effect, in the transition metal dichalcogenides.

preprint2015arXiv

Multi-Objective Optimization for Power Efficient Full-Duplex Wireless Communication Systems

In this paper, we investigate power efficient resource allocation algorithm design for multiuser wireless communication systems employing a full-duplex (FD) radio base station for serving multiple half-duplex (HD) downlink and uplink users simultaneously. We propose a multi-objective optimization framework for achieving two conflicting yet desirable system design objectives, i.e., total downlink transmit power minimization and total uplink transmit power minimization, while guaranteeing the quality-of-service of all users. To this end, the weighted Tchebycheff method is adopted to formulate a multi-objective optimization problem (MOOP). Although the considered MOOP is non-convex, we solve it optimally by semidefinite programming relaxation. Simulation results not only unveil the trade-off between the total downlink and the total uplink transmit power, but also confirm that the proposed FD system provides substantial power savings over traditional HD systems.

preprint2015arXiv

Multi-Objective Optimization for Robust Power Efficient and Secure Full-Duplex Wireless Communication Systems

In this paper, we investigate the power efficient resource allocation algorithm design for secure multiuser wireless communication systems employing a full-duplex (FD) base station (BS) for serving multiple half-duplex (HD) downlink (DL) and uplink (UL) users simultaneously. We propose a multi-objective optimization framework to study two conflicting yet desirable design objectives, i.e., total DL transmit power minimization and total UL transmit power minimization. To this end, the weighed Tchebycheff method is adopted to formulate the resource allocation algorithm design as a multi-objective optimization problem (MOOP). The considered MOOP takes into account the quality-of-service (QoS) requirements of all legitimate users for guaranteeing secure DL and UL transmission in the presence of potential eavesdroppers. Thereby, secure UL transmission is enabled by the FD BS and would not be possible with an HD BS. The imperfectness of the channel state information of the eavesdropping channels and the inter-user interference channels is incorporated for robust resource allocation algorithm design. Although the considered MOOP is non-convex, we solve it optimally by semidefinite programming (SDP) relaxation. Simulation results not only unveil the trade-off between the total DL transmit power and the total UL transmit power, but also confirm the robustness of the proposed algorithm against potential eavesdroppers.

preprint2015arXiv

New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps

Topological insulators (TIs) are promising for achieving dissipationless transport devices due to the robust gapless states inside the insulating bulk gap. However, currently realized 2D TIs, quantum spin Hall (QSH) insulators, suffer from ultra-high vacuum and extremely low temperature. Thus, seeking for desirable QSH insulators with high feasibility of experimental preparation and large nontrivial gap is of great importance for wide applications in spintronics. Based on the first-principles calculations, we predict a novel family of two-dimensional (2D) QSH insulators in transition-metal halide MX (M = Zr, Hf; X = Cl, Br, and I) monolayers with large nontrivial gaps of 0.12$-$0.4 eV, comparable with bismuth (111) bilayer (0.2 eV), stanene (0.3 eV) and larger than ZrTe$_5$ (0.1 eV) monolayers and graphene-based sandwiched heterstructures (30$-$70 meV). Their corresponding 3D bulk materials are weak topological insulators from stacking QSH layers, and some of bulk compounds have already been synthesized in experiment. The mechanism for 2D QSH effect in this system originates from a novel d$-$d band inversion, which is different from conventional band inversion between s$-$s orbitals, or p$-$p orbitals. The realization of pure layered MX monolayers may be prepared by exfoliation from their 3D bulk phases, thus holding great promise for nanoscale device applications and stimulating further efforts on transition metal-based QSH materials.

preprint2015arXiv

On Linear Regression for Interval-valued Data in $\mathcal{K}_{\mathcal{C}}\left(\mathbb{R}\right)$

It has been some time since interval-valued linear regression was investigated. In this paper, we focus on linear regression for interval-valued data within the framework of random sets. The model we propose generalizes a series of existing models. We establish important properties of the model in the space of compact convex subsets of $\mathbb{R}$, analogous to those for the classical linear regression. Furthermore, we carry out theoretical investigations into the least squares estimation that is widely used in the literature. A simulation study is presented that supports our theorems. Finally, an application to a climate data set is provided to demonstrate the applicability of our model.

preprint2015arXiv

Power Efficient and Secure Full-Duplex Wireless Communication Systems

In this paper, we study resource allocation for a full-duplex (FD) radio base station serving multiple half-duplex (HD) downlink and uplink users simultaneously. The considered resource allocation algorithm design is formulated as a non-convex optimization problem taking into account minimum required receive signal-to-interference-plus-noise ratios (SINRs) for downlink and uplink communication and maximum tolerable SINRs at potential eavesdroppers. The proposed optimization framework enables secure downlink and uplink communication via artificial noise generation in the downlink for interfering the potential eavesdroppers. We minimize the weighted sum of the total downlink and uplink transmit power by jointly optimizing the downlink beamformer, the artificial noise covariance matrix, and the uplink transmit power. We adopt a semidefinite programming (SDP) relaxation approach to obtain a tractable solution for the considered problem. The tightness of the SDP relaxation is revealed by examining a sufficient condition for the global optimality of the solution. Simulation results demonstrate the excellent performance achieved by the proposed scheme and the significant transmit power savings enabled optimization of the artificial noise covariance matrix.

preprint2015arXiv

Prediction of the Weyl semimetal in the orthorhombic MoTe2

We investigate the orthorhombic phase (Td) of layered transition-metal-dichalcogenide MoTe$_2$ as a Weyl semimetal candidate, which was discovered to be a superconductor in our recent experiment. MoTe$_2$ exhibits four pairs of Weyl points lying slightly ($\sim$ 6 meV) above the Fermi energy in the bulk band structure. Unlike its cousin WTe$_2$, which was predicted to be a type-II Weyl semimetal recently, the spacing between each pair of Weyl points is found to be as large as 4 percent of the reciprocal lattice in MoTe$_2$ (six times larger than that of WTe$_2$). When projected to the surface, Weyl points are connected by Fermi arcs, which can be easily verified by ARPES due to the large Weyl point separation. In addition, we show that the correlation effect or strain can drive MoTe$_2$ from the type-II to type-I Weyl semimetal.

preprint2015arXiv

Topological surface states and Fermi arcs of the noncentrosymmetric Weyl semimetals TaAs, TaP, NbAs, and NbP

Very recently the topological Weyl semimetal (WSM) state was predicted in the noncentrosymmetric compounds TaAs, TaP, NbAs, and NbP and soon led to photoemission and transport experiments to verify the presumed topological properties such as Fermi arcs (unclosed Fermi surfaces) and the chiral anomaly. In this work, we have performed fully \textit{ab initio} calculations of the surface band structures of these four WSM materials and revealed the Fermi arcs with spin-momentum-locked spin texture. On the (001) polar surface, the shape of the Fermi surface depends sensitively on the surface terminations (cations or anions), although they exhibit the same topology with arcs. The anion (P or As) terminated surfaces are found to fit recent photoemission measurements well. Such surface potential dependence indicates that the shape of the Fermi surface can be manipulated by depositing guest species (such as K atoms), as we demonstrate. On the polar surface of a WSM without inversion symmetry, Rashba-type spin polarization naturally exists in the surface states and leads to strong spin texture. By tracing the spin polarization of the Fermi surface, we can also distinguish Fermi arcs from trivial Fermi circles. The four compounds NbP, NbAs, TaP, and TaAs present an increasing amplitude of spin-orbit coupling (SOC) in the band structure. By comparing their surface states, we reveal the evolution of topological Fermi arcs from the spin-degenerate Fermi circle to spin-split arcs when the SOC increases from zero to a finite value. Our work will help us understand the complicated surface states of WSMs and allow us to manipulate them, especially for future spin-revolved photoemission and transport experiments.

preprint2015arXiv

Two different topological insulator phases in NaBaBi

By breaking the inversion symmetry of the three-dimensional Dirac metal Na$_3$Bi, we realize topological insulator (TI) phases in the known compound NaBaBi using $ab~initio$ calculations. Two distinct TI phases emerge: one phase is due to band inversion between the Bi $p$ and Na $s$ bands, and the other phase (under pressure) is induced by inversion of the Bi $p$ and Ba $d$ bands. Both phases exhibit Dirac-cone-type surface states, but they have opposite spin textures. In the upper cone, a left-handed spin texture exists for the $s$-$p$ inverted phase (similar to a common TI, e.g., Bi$_2$Se$_3$), whereas a right-handed spin texture appears for the $p$-$d$ inverted phase. NaBaBi presents a prototype model of a TI that exhibits different spin textures in the same material. In addition, NaBaBi may exhibit the introduction of correlation effects to the topological state owing to the existence of $d$ states in the band inversion.

preprint2014arXiv

A Normal Hierarchical Model and Minimum Contrast Estimation for Random Intervals

Many statistical data are imprecise due to factors such as measurement errors, computation errors, and lack of information. In such cases, data are better represented by intervals rather than by single numbers. Existing methods for analyzing interval-valued data include regressions in the metric space of intervals and symbolic data analysis, the latter being proposed in a more general setting. However, there has been a lack of literature on the distribution-based inferences for interval-valued data. In an attempt to fill this gap, we extend the concept of normality for random sets by Lyashenko (1983) and propose a normal hierarchical model for random intervals. In addition, we develop a minimum contrast estimator (MCE) for the model parameters, which we show is both consistent and asymptotically normal. Simulation studies support our theoretical findings, and show very promising results. Finally, we successfully apply our model and MCE to a real dataset.

preprint2014arXiv

A Possible Extension of the Scutum-Centaurus Arm into the Outer Second Quadrant

Combining HI data from the Canadian Galactic Plane Survey~(CGPS) and CO data from the Milky Way Imaging Scroll Painting (MWISP) project, we have identified a new segment of a spiral arm between Galactocentric radii of 15 and 19~kpc that apparently lies beyond the Outer Arm in the second Galactic quadrant. Over most of its length, the arm is 400-600 pc thick in $z$. The new arm appears to be the extension of the distant arm recently discovered by Dame & Thaddeus (2011) as well as the Scutum-Centaurus Arm into the outer second quadrant. Our current survey identified a total of 72 molecular clouds with masses on the order of 10$^2$-10$^4$M$_{\sun}$ that probably lie in the new arm. When all of the available data from the CO molecular clouds are fit, the best$-$fitting spiral model gives a pitch angle of 9.3$^{\circ}$ $\pm$0.7$^{\circ}$.

preprint2014arXiv

A semiparametric spatial dynamic model

Stimulated by the Boston house price data, in this paper, we propose a semiparametric spatial dynamic model, which extends the ordinary spatial autoregressive models to accommodate the effects of some covariates associated with the house price. A profile likelihood based estimation procedure is proposed. The asymptotic normality of the proposed estimators are derived. We also investigate how to identify the parametric/nonparametric components in the proposed semiparametric model. We show how many unknown parameters an unknown bivariate function amounts to, and propose an AIC/BIC of nonparametric version for model selection. Simulation studies are conducted to examine the performance of the proposed methods. The simulation results show our methods work very well. We finally apply the proposed methods to analyze the Boston house price data, which leads to some interesting findings.

preprint2014arXiv

Computing Multi-Relational Sufficient Statistics for Large Databases

Databases contain information about which relationships do and do not hold among entities. To make this information accessible for statistical analysis requires computing sufficient statistics that combine information from different database tables. Such statistics may involve any number of {\em positive and negative} relationships. With a naive enumeration approach, computing sufficient statistics for negative relationships is feasible only for small databases. We solve this problem with a new dynamic programming algorithm that performs a virtual join, where the requisite counts are computed without materializing join tables. Contingency table algebra is a new extension of relational algebra, that facilitates the efficient implementation of this Möbius virtual join operation. The Möbius Join scales to large datasets (over 1M tuples) with complex schemas. Empirical evaluation with seven benchmark datasets showed that information about the presence and absence of links can be exploited in feature selection, association rule mining, and Bayesian network learning.

preprint2014arXiv

Fast Learning of Relational Dependency Networks

A Relational Dependency Network (RDN) is a directed graphical model widely used for multi-relational data. These networks allow cyclic dependencies, necessary to represent relational autocorrelations. We describe an approach for learning both the RDN's structure and its parameters, given an input relational database: First learn a Bayesian network (BN), then transform the Bayesian network to an RDN. Thus fast Bayes net learning can provide fast RDN learning. The BN-to-RDN transform comprises a simple, local adjustment of the Bayes net structure and a closed-form transform of the Bayes net parameters. This method can learn an RDN for a dataset with a million tuples in minutes. We empirically compare our approach to state-of-the art RDN learning methods that use functional gradient boosting, on five benchmark datasets. Learning RDNs via BNs scales much better to large datasets than learning RDNs with boosting, and provides competitive accuracy in predictions.

preprint2014arXiv

Topological Metal of NaBi with Ultralow Lattice Thermal Conductivity and Electron-phonon Superconductivity

By means of first-principles and \emph{ab initio} tight-binding calculations, we found that the compound of NaBi is a three-dimensional non-trivial topological metal. Its topological feature can be confirmed by the presence of band inversion, the derived effective Z$_2$ invariant and the non-trivial surface states with the presence of Dirac cones. Interestingly, our calculations further demonstrated that NaBi exhibits the uniquely combined properties between the electron-phonon coupling superconductivity in nice agreement with recent experimental measurements and the obviously anisotropic but extremely low thermal conductivity. The spin-orbit coupling effects greatly affect those properties. NaBi may provide a rich platform to study the relationship among metal, topology, superconductivity and thermal conductivity.

preprint2013arXiv

Rock-salt SnS and SnSe: Native Topological Crystalline Insulators

Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected by crystal symmetry. To date, TCI behaviors have been observed in SnTe and the related alloys Pb$_{1-x}$Sn$_{x}$Se/Te, which incorporate heavy elements with large spin-orbit coupling (SOC). Here, by combining first-principles and {\it ab initio} tight-binding calculations, we report the formation of a TCI in the relatively lighter rock-salt SnS and SnSe. This TCI is characterized by an even number of Dirac cones at the high-symmetry (001), (110) and (111) surfaces, which are protected by the reflection symmetry with respect to the ($\bar{1}$10) mirror plane. We find that both SnS and SnSe have an intrinsically inverted band structure and the SOC is necessary only to open the bulk band gap. The bulk band gap evolution upon volume expansion reveals a topological transition from an ambient pressure TCI to a topologically trivial insulator. Our results indicate that the SOC alone is not sufficient to drive the topological transition.

preprint2013arXiv

Simultaneous sparse model selection and coefficient estimation for heavy-tailed autoregressive processes

We propose a sparse coefficient estimation and automated model selection procedure for autoregressive (AR) processes with heavy-tailed innovations based on penalized conditional maximum likelihood. Under mild moment conditions on the innovation processes, the penalized conditional maximum likelihood estimator (PCMLE) satisfies a strong consistency, $O_P(N^{-1/2})$ consistency, and the oracle properties, where N is the sample size. We have the freedom in choosing penalty functions based on the weak conditions on them. Two penalty functions, least absolute shrinkage and selection operator (LASSO) and smoothly clipped average deviation (SCAD), are compared. The proposed method provides a distribution-based penalized inference to AR models, which is especially useful when the other estimation methods fail or under perform for AR processes with heavy-tailed innovations (see \cite{Resnick}). A simulation study confirms our theoretical results. At the end, we apply our method to a historical price data of the US Industrial Production Index for consumer goods, and obtain very promising results.

preprint2013arXiv

Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects

In integrating topological insulators (TIs) with conventional materials, one crucial issue is how the topological surface states (TSS) will behave in such heterostructures. We use first-principles approaches to establish accurate tunability of the vertical location of the TSS via intriguing dual-proximity effects. By depositing a conventional insulator (CI) overlayer onto a TI substrate (Bi2Se3 or Bi2Te3), we demonstrate that, the TSS can float to the top of the CI film, or stay put at the CI/TI interface, or be pushed down deeper into the otherwise structurally homogeneous TI substrate. These contrasting behaviors imply a rich variety of possible quantum phase transitions in the hybrid systems, dictated by key material-specific properties of the CI. These discoveries lay the foundation for accurate manipulation of the real space properties of TSS in TI heterostructures of diverse technological significance.

preprint2012arXiv

A 95 GHz Class I Methanol Maser Survey Toward A Sample of GLIMPSE Point Sources Associated with BGPS Clumps

We report a survey with the Purple Mountain Observatory (PMO) 13.7-m radio telescope for class I methanol masers from the 95 GHz (8_0 - 7_1 A^+) transition. The 214 target sources were selected by combining information from both the Spitzer GLIMPSE and 1.1 mm BGPS survey catalogs. The observed sources satisfy both the GLIMPSE mid-IR criteria of [3.6]-[4.5]>1.3, [3.6]-[5.8]>2.5, [3.6]-[8.0]>2.5 and 8.0 um magnitude less than 10, and also have an associated 1.1 mm BGPS source. Class I methanol maser emission was detected in 63 sources, corresponding to a detection rate of 29% for this survey. For the majority of detections (43), this is the first identification of a class I methanol maser associated with these sources. We show that the intensity of the class I methanol maser emission is not closely related to mid-IR intensity or the colors of the GLIMPSE point sources, however, it is closely correlated with properties (mass and beam-averaged column density) of the BGPS sources. Comparison of measures of star formation activity for the BGPS sources with and without class I methanol masers indicate that the sources with class I methanol masers usually have higher column density and larger flux density than those without them. Our results predict that the criteria log(S_{int})<-38.0+1.72log(N_{H_{2}}^{beam}) and log(N_{H_{2}}^{beam})>22.1, which utilizes both the integrated flux density (S_{int}) and beam-averaged column density (N_{H_{2}}^{beam}) of the BGPS sources, are very efficient for selecting sources likely to have an associated class I methanol maser. Our expectation is that searches using these criteria will detect 90% of the predicted number of class I methanol masers from the full BGPS catalog (~ 1000), and do so with a high detection efficiency (~75%).

preprint2012arXiv

Dirac semimetal and topological phase transitions in A3Bi (A=Na, K, Rb)

The three-dimensional (3D) Dirac point, where two Weyl points overlap in momentum space, is usually unstable and hard to realize. Here we show, based on the first-principles calculations and effective model analysis, that crystalline $A_3$Bi ($A$=Na, K, Rb) are Dirac semimetals with bulk 3D Dirac points protected by crystal symmetry. They possess non-trivial Fermi arcs on the surfaces, and can be driven into various topologically distinct phases by explicit breaking of symmetries. Giant diamagnetism, linear quantum magnetoresistance, and quantum spin-Hall effect will be expected for such compounds.

preprint2011arXiv

C2H, HC3N and HNC Observations in OMC-2/3

For the first time, the OMC-2/3 region was mapped in C2H(1-0), HC3N(10-9) and HNC(1-0) lines. In general, the emissions from all the three molecular species reveal an extended filamentary structure. The distribution of C2H cores almost follows that of the 1300 $μ$m condensations, which might suggest that C2H is a good tracer to study the core structure of molecular clouds. The core masses traced by HNC are rather flat, ranging from 18.8 to 49.5 $M_{\odot}$, while present a large span for those from C2H, ranging from 6.4 to 36.0 $M_{\odot}$. The line widths of both HNC and C2H look very similar, and both are wider than that of HC3N. The line widths of the three lines are all wider than those from dark clouds, implying that the former is more active than the latter, and has larger turbulence caused by winds and UV radiation from the surrounding massive stars.

preprint2011arXiv

Strain driven onset of non-trivial topological insulating states in Zintl Sr$_2X$ compounds ($X$=Pb, Sn)

We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds Sr$_2$Pb and Sr$_2$Sn using both standard and hybrid density functional theory. It is found that Sr$_2$Pb lies on the verge of a topological instability which can be suitably tuned through the application of a small uniaxial expansion strain ($>$ 3%). The resulting non-trivial topologically insulating state display well-defined metallic states in the Sr$_{2}$Pb(010) surface, whose evolution is studied as a function of the film thickness.

preprint2009arXiv

Comparative study of the relationships between CO isotopic luminosities and infrared luminosity for the Galactic dense cores

Combining the 12CO(1-0), 13CO(1-0), and C18O(1-0) data with IRAS four band data, we here estimate the physical parameters such as size, viral mass, and CO J=1-0 isotopic and infrared luminosities for 29 dense molecular clouds from two published CO samples. We further analyze the various correlations between CO J=1-0 isotopic luminosities and infrared luminosity (star formation rate, SFR) and discuss the relationships between the molecular gas tracers and SFR. The results show that 12CO(1-0), 13CO(1-0) and C18O(1-0) luminosities have tight correlations with each other. CO J=1-0 isotopic luminosities and SFR show weak correlations with lager scatter than the HCN-IR correlations of 47 dense cores in the Galaxy and 65 external star-forming galaxies. This might be interpreted as that both the SFR and star formation efficiency are mainly determined by the molecular gas at high volume density rather than high column density.