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Xiaoming Zhang

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Published work

37 published item(s)

preprint2026arXiv

PropGuard: Safeguarding LLM-MAS via Propagation-Aware Exploration and Remediation

LLM-based multi-agent systems (LLM-MAS) have become a promising paradigm for solving complex tasks through role specialization, tool use, memory, and collaborative reasoning. However, these interactions create new security risks that malicious instructions injected through messages, tools, or memories can propagate across agents and rounds, causing system-level compromise. Existing defenses largely rely on local filtering or graph-based anomaly detection, but they often fail to trace fine-grained propagation paths or remediate contaminated states without disrupting benign collaboration. We propose PropGuard, a propagation-aware framework for safeguarding LLM-MAS. PropGuard constructs a dual-view spatio-temporal graph that combines response-centric risk estimation with full-state evidence preservation. Guided by these risk priors, a GE-GRPO trained inspector sequentially explores the full-state graph to recover compact suspicious propagation subgraphs. PropGuard then verifies harmful propagation through subgraph-aware diagnosis and applies source-guided remediation to correct upstream contamination and replay affected downstream interactions. Experiments across four communication architectures and five attack settings demonstrate that PropGuard consistently lowers attack success while maintaining high task-level defense success, achieving a favorable effectiveness--efficiency trade-off.

preprint2026arXiv

TF-Mamba: Text-enhanced Fusion Mamba with Missing Modalities for Robust Multimodal Sentiment Analysis

Multimodal Sentiment Analysis (MSA) with missing modalities has attracted increasing attention recently. While current Transformer-based methods leverage dense text information to maintain model robustness, their quadratic complexity hinders efficient long-range modeling and multimodal fusion. To this end, we propose a novel and efficient Text-enhanced Fusion Mamba (TF-Mamba) framework for robust MSA with missing modalities. Specifically, a Text-aware Modality Enhancement (TME) module aligns and enriches non-text modalities, while reconstructing the missing text semantics. Moreover, we develop Text-based Context Mamba (TC-Mamba) to capture intra-modal contextual dependencies under text collaboration. Finally, Text-guided Query Mamba (TQ-Mamba) queries text-guided multimodal information and learns joint representations for sentiment prediction. Extensive experiments on three MSA datasets demonstrate the effectiveness and efficiency of the proposed method under missing modality scenarios. Our code is available at https://github.com/codemous/TF-Mamba.

preprint2023arXiv

Excellent catalytic performance towards the hydrogen evolution reaction in topological semimetals

Topological states of matter and their corresponding properties are classical research topics in condensed matter physics. Quite recently, the application of materials that feature these states has been extended to the field of electrochemical catalysis and become an emerging research topic that is receiving increasing interest. In particular, several recent experimental studies performed on topological semimetals have already revealed high catalytic performance towards hydrogen evolution reaction (HER), strongly promoting acceptance of the fresh concept of the topological catalyst. This emerging concept has experienced rapid developments in the last few years, but these developments have been rarely summarized. Herein, we offer a comprehensive review on the state-of-the-art progress in developing topological catalysts for the HER process through topological semimetals such as Weyl semimetals, Dirac semimetals, nodal line semimetals, etc. The course of development, the general research routes, and the fundamental mechanisms in topological catalysts are also systematically analyzed in this review.

preprint2022arXiv

CaTT-KWS: A Multi-stage Customized Keyword Spotting Framework based on Cascaded Transducer-Transformer

Customized keyword spotting (KWS) has great potential to be deployed on edge devices to achieve hands-free user experience. However, in real applications, false alarm (FA) would be a serious problem for spotting dozens or even hundreds of keywords, which drastically affects user experience. To solve this problem, in this paper, we leverage the recent advances in transducer and transformer based acoustic models and propose a new multi-stage customized KWS framework named Cascaded Transducer-Transformer KWS (CaTT-KWS), which includes a transducer based keyword detector, a frame-level phone predictor based force alignment module and a transformer based decoder. Specifically, the streaming transducer module is used to spot keyword candidates in audio stream. Then force alignment is implemented using the phone posteriors predicted by the phone predictor to finish the first stage keyword verification and refine the time boundaries of keyword. Finally, the transformer decoder further verifies the triggered keyword. Our proposed CaTT-KWS framework reduces FA rate effectively without obviously hurting keyword recognition accuracy. Specifically, we can get impressively 0.13 FA per hour on a challenging dataset, with over 90% relative reduction on FA comparing to the transducer based detection model, while keyword recognition accuracy only drops less than 2%.

preprint2022arXiv

Censer: Curriculum Semi-supervised Learning for Speech Recognition Based on Self-supervised Pre-training

Recent studies have shown that the benefits provided by self-supervised pre-training and self-training (pseudo-labeling) are complementary. Semi-supervised fine-tuning strategies under the pre-training framework, however, remain insufficiently studied. Besides, modern semi-supervised speech recognition algorithms either treat unlabeled data indiscriminately or filter out noisy samples with a confidence threshold. The dissimilarities among different unlabeled data are often ignored. In this paper, we propose Censer, a semi-supervised speech recognition algorithm based on self-supervised pre-training to maximize the utilization of unlabeled data. The pre-training stage of Censer adopts wav2vec2.0 and the fine-tuning stage employs an improved semi-supervised learning algorithm from slimIPL, which leverages unlabeled data progressively according to their pseudo labels' qualities. We also incorporate a temporal pseudo label pool and an exponential moving average to control the pseudo labels' update frequency and to avoid model divergence. Experimental results on Libri-Light and LibriSpeech datasets manifest our proposed method achieves better performance compared to existing approaches while being more unified.

preprint2021arXiv

Ideal fully spin-polarized type-II nodal line state in half-metals X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F)

Lorentz-violating type-II nodal lines exhibit attracting physical properties and have been hot discussed currently. However, their investigations have been mostly limited in nonmagnetic system because of lacking ideal spin-polarized candidates with clean type-II nodal line states. Here, for the first time, we report the family of X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F) compounds are such ideal candidate materials by using the member of K2CuF4 as an example. We show the material is a ferromagnetic half-metal with weak anisotropy, which host fully spin-polarized conducting electrons. In the conducting spin channel, the band crossing form a pair of type-II nodal lines, protected by mirror symmetry. These type-II nodal lines are different with former proposed examples because they have a 100% spin polarization. In addition, we also show the material can realize switchable topological states, which can be easily controlled by external magnetic field. It is noticed that, the material: i) is stable and can be synthesized in experiments; ii) has clear magnetic structure; and iii) manifests clean type-II nodal line state and clear drumhead surface states. Therefore, the proposed X2YZ4 compounds are expected to be an excellent platform to investigate the novel physical properties of both type-II nodal line states with complete

preprint2021arXiv

Multiple-Fold Fermions and Topological Fermi Arcs Induced Catalytic Enhancement in Nanoporous Electride C12A7

Topological materials are recently regarded as the idea catalysts due to the protected surface metallic states and high carrier mobility, however the fundamental mechanism and the underlying relationship between the catalytic performance and topological states are in debate. Here, by means of symmetry analysis and first-principles calculations, we discover that the electride material of C12A7 hosts the multiple-fold fermions due to the interstitial-electrons, with the sixfold- and fourfold- degenerate points locating at high symmetric points near the Fermi energy, which are identified as the underlying reason of the enhanced catalytic ability in C12A7-based catalysts. The multiple-fold fermions exhibit much longer Fermi arcs on the (001) surface than traditional Weyl/Dirac fermions, the surface is thus highly chemical active and possesses a low Gibbs free energy for the hydrogen evolution reaction. The underlying relationship between catalytic performance and the topological surface state is explicitly verified by artificially hole doping, external strain and similar electride without the Fermi arcs, where the Gibbs free energies are significantly increased when the Fermi arcs is shifted to higher energy level. This work offers a guiding principle for understanding catalytic nature of electrides and the topological quantum catalysts.

preprint2021arXiv

Observation of unconventional six-fold, four-fold and three-fold excitations in rare-earth-metal carbide Re2C3

Unconventional fermions, such as three-fold, four-fold, six-fold, and eight-fold fermions have attracted intense attention in recent years. However, the concrete materials hosting unconventional fermions are still in urgent scarcity. In this work, based first-principle calculations and symmetry analysis, we reveal rich unconventional fermions in existing compound Re2C3 (Re = Y, La, Ce, Pr, Nd, Sm, Tb, Dy, Ho, Er, Tm, Yb, Lu). We show that these compounds host quadratic dispersive three-fold (TP), linear dispersive four-fold (FP) and six-fold points (SP) near the Fermi level in their electric band structures when spin-orbital coupling (SOC) is not included. Notably, the FP is charge-2 Dirac-like point. More importantly, among compound Re2C3, the compound Yb2C3 has very clean band structure, and its unconventional fermions are closed to the Fermi level. We also find that a uniaxial strain can transform the unconventional fermions into other types fermions, depending on the directions of strain. When SOC is considered, a SP transform to an eightfold degenerate point and a fourfold degenerate point. Overall, our work provides a family of realistic materials to study the unconventional fermions.

preprint2021arXiv

Theoretical realization of hybrid Weyl state and associated high catalytic performance for hydrogen evolution in NiSi

For electrochemical hydrogen evolution reaction (HER), developing high-performance catalysts without containing precious metals has been a major research focus in the current. Herein, we show the feasibility of HER catalytic enhancement in Ni-based materials based on topological engineering from hybrid Weyl states. Via a high-throughput computational screening from 140 000 materials, we identify a chiral compound NiSi is a hybrid Weyl semimetal (WSM) with showing bulk type-I and type-II Weyl nodes and long surface Fermi arcs near the Fermi level. Sufficient evidences verify that topological charge carriers participate in the HER process, and make the certain surface of NiSi highly active with the Gibbs free energy nearly zero (0.07 eV), which is even lower than Pt and locates on the top of the volcano plots. This work opens up a new routine to develop no-precious-metal-containing HER catalysts via topological engineering, rather than traditional defect engineering, doping engineering, or strain engineering.

preprint2021arXiv

Topological quantum catalyst: the case of two-dimensional traversing nodal line states associated with high catalytic performance for hydrogen evolution reaction

Topological quantum catalysts (TQCs), where metallic surface states from nontrivial band topology serve as the mechanism to favor heterogeneous catalysis processes, have been well demonstrated in three dimensional (3D) examples but have been rarely discussed in 2D scale. Here, we develop a design scheme to realize 2D TQCs with showing traversing nodal line at the Brillouin zone boundary, large Fermi arc on the edge, and nearly zero Gibbs free energy (ΔGH*) for hydrogen evolution reaction (HER). We demonstrate the 2D Cu2C2N4 sheet is a such example. The material manifests an open nodal line traversing the whole k-path S-Y. It shows a long Fermi arc that spans the entire edge boundary, which is robust against spin-orbit coupling and the H adsorption. As the result, the edge of Cu2C2N4 sheet is relatively active for HER catalysis with possessing a ΔGH* as low as 0.10 eV, which is comparable with that of Pt and superior to other traditional catalysts and 3D TQCs as well. Our work offers an effective route to develop high performance HER catalysis without containing noble metals by utilizing 2D TQCs with traversing nodal line.

preprint2021arXiv

Weyl nodal line induced pairing in Ising superconductor and high critical field

Superconducting and topological states are two quantum phenomena attracting much interest. Their coexistence may lead to topological superconductivity sought-after for Majorana-based quantum computing. However, there is no causal relationship between the two, since superconductivity is a many-body effect due to electron-electron interaction while topology is a single-particle manifestation of electron band structure. Here, we demonstrate a novel form of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing, induced by topological Weyl nodal lines in Ising Bardeen-Cooper-Schrieffer (IBCS) superconductors. Based on first-principles calculations and analyses, we predict that the nonmagnetic metals of MA$_2$Z$_4$ family, including $α_1$-TaSi$_2$P$_4$, $α_1$-TaSi$_2$N$_4$, $α_1$-NbSi$_2$P$_4$, $α_2$-TaGe$_2$P$_4$, and $α_2$-NbGe$_2$P$_4$ monolayers, are all superconductors. While the intrinsic IBCS paring arises in these non-centrosymmetric systems, the extrinsic FFLO pairing is revealed to be evoked by the Weyl nodal lines under magnetic field, facilitating the formation of Cooper pairs with nonzero momentum in their vicinity. Moreover, we show that the IBCS pairing alone will enhance the in-plane critical field $B_c$ to ~10-50 times of Pauli paramagnetic limit $B_p$, and additional FFLO pairing can further triple the $B_c/B_p$ ratio. It therefore affords an effective approach to enhance the robustness of superconductivity. Also, the topology induced superconductivity renders naturally the possible existence of topological superconducting state.

preprint2020arXiv

A Record-High Ion Storage Capacity of T-Graphene as Two-Dimensional Anode Material for Li-ion and Na-ion Batteries

Developing applicable two-dimensional (2D) electrode materials with high performance, especially with high ion storage capacity, has become an ever more obsessive quest in recent years. Based on first-principles calculations, we report that T-graphene, a new carbon-based 2D material, has a record-high Li/Na storage capacity. The capacity of T-graphene is as high as 2233.2 mA h g-1 for Li, and can reach 2357.2 mA h g-1 for Na, which are 6 times as much as that of the commercial graphite and are the highest among 2D anode materials identified so far. We demonstrate that the ultrahigh storage capacity of T-graphene mostly benefits from its low atomic mass and special periodic lattice structure. T-graphene has not only the ultrahigh storage capacity but also hosts the stable ion adsorption, good electric conductivity, fast ion diffusion speed, and low open-circuit voltage, which are merits required as a superior anode material for Li-ion and Na-ion batteries with ultrahigh storage capacity.

preprint2020arXiv

Ferromagnetic hybrid nodal loop and switchable type-I and type-II Weyl fermions in two-dimension

As a novel type of fermionic state, hybrid nodal loop with the coexistence of both type-I and type- II band crossings has attracted intense research interest. However, it remains a challenge to realize hybrid nodal loop in both two-dimensional (2D) materials and in ferromagnetic (FM) materials. Here, we propose the first FM hybrid nodal loop in 2D CrN monolayer. We show that the material has a high Curie temperature (> 600 K) FM ground state, with the out-of-plane [001] magnetization. It shows a half-metallic band structure with two bands in the spin-up channel crossing each other near the Fermi level. These bands produce both type-I and type-II band crossings, which form a fully spin-polarized hybrid nodal loop. We find the nodal loop is protected by the mirror symmetry and robust against spin-orbit coupling (SOC). An effective Hamiltonian characterizing the hybrid nodal loop is established. We further find the configuration of nodal loop can be shifted under external perturbations such as strain. Most remarkably, we demonstrate that both type-I and type-II Weyl nodes can be realized from such FM hybrid nodal loop by simply shifting the magnetization from out-of-plane to in-plane. Our work provides an excellent candidate to realize FM hybrid nodal loop and Weyl fermions in 2D material, and is also promising for related topological applications with their intriguing properties.

preprint2020arXiv

First-principles study on the bulk and two-dimensional structures of AMnBi(A =K, Rb, Cs)-family materials

Magnetic materials with high mobilities are intriguing subject of research from both fundamental and application perspectives. Based on first-principle calculations, we investigate the physical properties of the already synthesized AMnBi(A =K, Rb, Cs)-family materials. We show that these materials are antiferromagnetic (AFM), with Neel temperatures above 300 K. They contain AFM ordered Mn layers, while the interlayer coupling changes from ferromagnetic (FM) for KMnBi to AFM for RbMnBi and CsMnBi. We find that these materials are narrow gap semiconductors. Owing to the small effective mass, the electron carrier mobility can be very high, reaching up to 100,000 cm2/(Vs) for KMnBi. In contrast, the hole mobility is much suppressed, typically lower by two orders of magnitude. We further study their two-dimensional (2D) single layer structures, which are found be AFM with fairly high mobility (1000 cm2/(Vs)). Their Neel temperatures can still reach room temperature. Interesting, we find that the magnetic phase transition is also accompanied by a metal-insulator phase transition, with the paramagnetic metal phase possessing a pair of nonsymmorphic-symmetry-protected 2D spin-orbit Dirac points. Furthermore, the magnetism can be effectively controlled by the applied strain. When the magnetic ordering is turned into FM, the system can become a quantum anomalous Hall insulator with gapless chiral edge states.

preprint2020arXiv

Structure, phase stability, half-metallicity, and fully spin-polarized Weyl states in compound NaV2O4: a new example for topological spintronic material

Here, we systematically investigate the structure, phase stability, half-metallicity, and topological electronic structure for a new topological spintronic material NaV2O4. The material has a tetragonal structure with excellent dynamical and thermal stabilities. It shows a half-metallic ground state, where only the spin-up bands present near the Fermi level. These bands form a Weyl nodal line close to the Fermi level, locating in the kz = 0 plane. The nodal line is robust against SOC, under the protection of the mirror symmetry. The nodal line band structure is very clean, thus the drumhead surface states can be clearly identified. Remarkably, the nodal line and drumhead surface states have the 100% spin polarization, which are highly desirable for spintronics applications. In addition, by shifting the magnetic field in-plane, we find that the Weyl nodal line can transform into single pair of Weyl nodes. The Weyl-line and Weyl-node fermions in the bulk, as well as the drumhead fermions on the surface are all fully spin-polarized, which may generate new physical properties and promising applications.

preprint2020arXiv

Topological Nodal Line Electrides: Realization of Ideal Nodal Line State Nearly Immune from Spin-Orbit Coupling

Nodal line semimetals (NLSs) have attracted broad interest in current research. In most of existing NLSs, the intrinsic properties of nodal lines are greatly destroyed because nodal lines usually suffer sizable gaps induced by non-negligible spin-orbit coupling (SOC). In this work,we propose the topological nodal line electrides (TNLEs), which achieve electronic structures of nodal lines and electrides simultaneously, provide new insight on designing excellent NLSs nearly immune from SOC. Since the states near the Fermi level are most contributed by nonnucleus-bounded interstitial electrons, nodal lines in TNLEs manifest extremely small SOCinduced gap even possessing heavy elements. Especially, we propose the family of A2B (A = Ca, Sr, Ba; B= As, Sb, Bi) materials are realistic TNLEs with negligible SOC-induced gaps, which can play as excellent platforms to study the intrinsic properties of TNLEs

preprint2020arXiv

Two-dimensional Weyl nodal line semimetal in high Curie temperature d0 ferromagnet K2N monolayer

Nodal line semimetals in two-dimensional (2-D) materials have attracted intense attention currently. From fundamental physics and spintronic applications points of view, high Curie temperature ferromagnetic (FM) ones with nodal lines robust against spin-orbit coupling (SOC) are significantly in desirable. Here, we propose that FM K2N monolayer is such Weyl nodal line semimetal. We show that K2N monolayer is dynamically stable, and has a FM ground magnetic state with the out-of-plane [001] magnetization. It shows two nodal lines in the low-energy band structures. Both nodal lines are robust against SOC, under the protection of mirror symmetry. We construct an effective Hamiltonian, which can well characterize the nodal lines in the system. Remarkably, the nodal line semimetal proposed here is distinct from the previously studied ones in that K2N monolayer is 2-D d0-type ferromagnet with the magnetism arising from the partially filled N-p orbitals, which can bring special advantages in spintronic applications. Besides, the Curie temperature in K2N monolayer is estimated to be 942K, being significantly higher than previous FM nodal lines materials. We also find that, specific tensile strains can transform the nodal line from type-I to a type-II one, making its nodal line characteristics even more interesting.

preprint2016arXiv

A centrosymmetric hexagonal magnet with superstable biskyrmion magnetic nanodomains in a wide temperature range of 100K to 340K

Here, we report on the experimental discovery of biskyrmion magnetic nanodomains at RT and the observation of a biskyrmion-derived topological Hall effect (THE) in the centrosymmetric hexagonal MnNiGa magnet. Using a phase reconstruction technique based on a transport-of-intensity equation (TIE), we established the texture of the biskyrmion spin. Results from Lorentz transmission electron microscopy (TEM) and the topological Hall effect revealed that the biskyrmion phase is stable over a much wider temperature range (100 K to ~340K) and a larger magnetic field range in our material than in skyrmion-hosting bulk crystals reported previously[1-3,6]. The super-wide operating temperature and the broad range of material options indicate important progress toward the realization of skyrmion-based spintronic devices.

preprint2016arXiv

Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries

Two-dimensional (2D) materials as electrodes is believed to be the trend for future Li-ion and Na-ion batteries technologies. Here, by using first-principles methods, we predict that the recently reported borophene (2D born sheet) can serve as an ideal electrode material with high electrochemical performance for both Li-ion and Na-ion batteries. The calculations are performed on the two experimentally stable borophene structures, namely \b{eta}12 and \c{hi}3 structures. The optimized Li and Na adsorption sites are identified, and the host materials are found to maintain good electric conductivity before and after adsorption. Besides advantages including small diffusion barriers and low average open-circuit voltages, most remarkably, the storage capacity can be as high as 1984 mA h g-1 in \b{eta}12 borophene and 1240 mA h g-1 in \c{hi}3 borophene for both Li and Na, which is several times higher than the commercial graphite electrode and is the highest among all the 2D materials discovered to date. Our results highly support that borophenes can be appealing anode materials for both Li-ion and Na-ion batteries with extremely high power density.

preprint2016arXiv

Dirac node lines in a two-dimensional bipartite square lattice

As a new type of quantum matter, Dirac node line (DNL) semimetals are currently attracting widespread interest in condensed matter physics and material science. The DNL featured by a closed line consisting of linear band crossings in the lattice momentum space are mostly predicted in three-dimensional materials. Here, we propose tight-binding (TB) models of pz/px,y or pz/s orbitals in a two-dimensional (2D) bipartite square lattice for the 2D version of DNL semimetals. The DNL states in these models are caused by the inversion of the bands with different symmetries and thus robust again spin-orbit coupling (SOC). By means of first-principles calculations, we demonstrate two candidate 2D materials of these models: Be2C and BeH2 monolayers, which have Fermi circles centered at Γ (0,0) and K (1/2, 1/2) points, respectively. The topological nontriviality is verified by the non-zero topological invariant and the edge states. This work opens an avenue for design of 2D DNL semimetals.

preprint2016arXiv

NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

preprint2016arXiv

The Xinglong 2.16-m Telescope: Current Instruments and Scientific Projects

The Xinglong 2.16-m reflector is the first 2-meter class astronomical telescope in China. It was jointly designed and built by the Nanjing Astronomical Instruments Factory (NAIF), Beijing Astronomical Observatory (now National Astronomical Observatories, Chinese Academy of Sciences, NAOC) and Institute of Automation, Chinese Academy of Sciences in 1989. It is Ritchey-Chrétien (R-C) reflector on an English equatorial mount and the effective aperture is 2.16 meters. It had been the largest optical telescope in China for $\sim18$ years until the Guoshoujing Telescope (also called Large Sky Area Multi-Object Fiber Spectroscopic Telescope, LAMOST) and the Lijiang 2.4-m telescope were built. At present, there are three main instruments on the Cassegrain focus available: the Beijing Faint Object Spectrograph and Camera (BFOSC) for direct imaging and low resolution ($R\sim500-2000$) spectroscopy, the spectrograph made by Optomechanics Research Inc. (OMR) for low resolution spectroscopy (the spectral resolutions are similar to those of BFOSC) and the fiber-fed High Resolution Spectrograph (HRS, $R\sim30000-65000$). The telescope is widely open to astronomers all over China as well as international astronomical observers. Each year there are more than 40 ongoing observing projects, including 6-8 key projects. Recently, some new techniques and instruments (e.g., astro-frequency comb calibration system, polarimeter and adaptive optics) have been or will be tested on the telescope to extend its observing abilities.

preprint2015arXiv

Beam optical design for high energy electron radiography experiment study based on THU LINAC

A special beam line for high energy electron radiography is designed, including achromat and imaging systems. The requirement of the angle and position correction on the target from imaging system can be approximately realized by fine tuning the quadrupoles used in the achromat. The imaging system is designed by fully considering the limitation from the laboratory and beam diagnostics devices space. Two kinds of imaging system are designed and both show a good performance of imaging by beam trajectory simulation. The details of the beam optical requirement and optimization design are presented here. The beam line is designed and prepared to install in Tsinghua university linear electron accelerator laboratory for further precise electron radiography experiment study.

preprint2015arXiv

Collective dark states controlled transmission in plasmonic slot waveguide with a stub coupled to a cavity dimer

We report collective dark states controlled transmission in metal-dielectric-metal waveguides with a stub coupled to two twin cavities, namely, plasmonic waveguide-stub-dimer systems. In absence of one individual cavity in the dimer, plasmon induced transparency (PIT) is possible when the cavity and the stub have the same resonance frequency. However, it is shown that the hybridized modes in the dimer collectively generate two dark states which make the stub-dimer "invisible" to the straight waveguide, splitting the original PIT peak into two in the transmission spectrum. Simultaneously, the original PIT peak becomes a dip due to dark state interaction, yielding anti-PIT-like modulation of the transmission. With full-wave electromagnetic simulation, we demonstrate that this transition is controlled by the dimer-stub separation and the dimer-stub relative position. All results are analytically described by the temporal coupled mode theory. Our results may be useful in designing densely integrated optical circuits, and in optical sensing and switching applications.

preprint2015arXiv

High Electron Mobility and Large Magnetoresistance in the Half-Heusler Semimetal LuPtBi

Materials with high carrier mobility showing large magnetoresistance (MR) have recently received much attention because of potential applications in future high-performance magneto-electric devices. Here, we report on the discovery of an electron-hole-compensated half-Heusler semimetal LuPtBi that exhibits an extremely high electron mobility of up to 79000 cm2/Vs with a non-saturating positive MR as large as 3200% at 2 K. Remarkably, the mobility at 300 K is found to exceed 10500 cm2/Vs, which is among the highest values reported in three-dimensional bulk materials thus far. The clean Shubnikov-de Haas quantum oscillation observed at low temperatures and the first-principles calculations together indicate that the high electron mobility is due to a rather small effective carrier mass caused by the distinctive band structure of the crystal. Our finding provide a new approach for finding large, high-mobility MR materials by designing an appropriate Fermi surface topology starting from simple electron-hole-compensated semimetals.

preprint2015arXiv

Location Prediction of Social Images via Generative Model

The vast amount of geo-tagged social images has attracted great attention in research of predicting location using the plentiful content of images, such as visual content and textual description. Most of the existing researches use the text-based or vision-based method to predict location. There still exists a problem: how to effectively exploit the correlation between different types of content as well as their geographical distributions for location prediction. In this paper, we propose to predict image location by learning the latent relation between geographical location and multiple types of image content. In particularly, we propose a geographical topic model GTMI (geographical topic model of social image) to integrate multiple types of image content as well as the geographical distributions, In GTMI, image topic is modeled on both text vocabulary and visual feature. Each region has its own distribution over topics and hence has its own language model and vision pattern. The location of a new image is estimated based on the joint probability of image content and similarity measure on topic distribution between images. Experiment results demonstrate the performance of location prediction based on GTMI.

preprint2015arXiv

Phagraphene: A Low-energy Graphene Allotrope composed of 5-6-7 Carbon Rings with Distorted Dirac Cones

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is lower in energy than most of the predicted 2D carbon allotropes due to its sp2-hybridization and density of atomic packing comparable to graphene. More interestingly, the electronic structure of phagraphene has distorted Dirac cones. The direction-dependent cones are further proved to be robust against external strain with tunable Fermi velocities.

preprint2015arXiv

Prediction of Novel Stable 2D-Silicon with Fivefold Coordination

Silicene, an analogue of graphene, was so far predicted to be the only two-dimensional silicon (2D-Si) with massless Dirac fermions. Here we predict a brand new 2D-Si Dirac semimetal, which we name siliconeet [silik'ni:t]. Unexpectedly, it has a much lower energy than silicene and robust direction-dependent Dirac cones with Fermi velocities comparable to those in graphene. Remarkably, its peculiar structure based on pentagonal rings and fivefold coordination plays a critical role in the novel electronic properties. Taking spin-orbit coupling into account, siliconeet can also be recognized as a 2D-topological insulator with a larger nontrivial band gap than silicene.

preprint2015arXiv

Transition from semiconducting to metallic-like conducting and weak antilocalization effect in single crystals of LuPtSb

High quality half-Heusler single crystals of LuPtSb have been synthesized by a Pb flux method. The temperature dependent resistivity and Hall effects indicate that the LuPtSb crystal is a p-type gapless semiconductor showing a transition from semiconducting to metallic conducting at 150 K. Moreover, a weakly temperature-dependent positive magnetoresistance (MR) as large as 109 % and high carrier mobility up to 2950 cm2/Vs are experimentally observed at temperatures below 150 K. The low-field MR data shows evidence for weak antilocalization (WAL) effect at temperatures even up to 150 K. Analysis of the temperature and angle dependent magnetoconductance manifests that the WAL effect originates from the bulk contribution owing to the strong spin-orbital coupling.

preprint2015arXiv

Tunable Topological States in Electron-Doped HTT-Pt

Driving existing materials to exhibit topologically nontrivial state is of both scientific and technological interests. Using first-principle calculations, we propose the first demonstration of electron doping induced multiple quantum phase transition in a single material of the organometallic framework, HTT-Pt, which has been synthesized by reacting triphenylene hexathiol molecules (HTT) with PtCl2. At low elec-tron doping, the HTT-Pt converts from a normal insulator to a quantum spin Hall (QSH) insulator with time-reversal symmetry (TRS). At high electron doping, the TRS is further broken making the HTT-Pt a quantum anomalous Hall (QAH) insulator. The topologically nontrivial band gap of the electron-doped HTT-Pt opened by intrinsic spin-orbit coupling (SOC) can be as large as 44.5 meV, which is promising for realizing these quantum phases at high temperatures. The possibility of switching between the QSH and QAH states offers an intriguing platform for new device paradigm by interfacing between a QSH and QAH state.

preprint2014arXiv

Future Influence Ranking of Scientific Literature

Researchers or students entering a emerging research area are particularly interested in what newly published papers will be most cited and which young researchers will become influential in the future, so that they can catch the most recent advances and find valuable research directions. However, predicting the future importance of scientific articles and authors is challenging due to the dynamic nature of literature networks and evolving research topics. Different from most previous studies aiming to rank the current importance of literatures and authors, we focus on \emph{ranking the future popularity of new publications and young researchers} by proposing a unified ranking model to combine various available information. Specifically, we first propose to extract two kinds of text features, words and words co-occurrence to characterize innovative papers and authors. Then, instead of using static and un-weighted graphs, we construct time-aware weighted graphs to distinguish the various importance of links established at different time. Finally, by leveraging both the constructed text features and graphs, we propose a mutual reinforcement ranking framework called \emph{MRFRank} to rank the future importance of papers and authors simultaneously. Experimental results on the ArnetMiner dataset show that the proposed approach significantly outperforms the baselines on the metric \emph{recommendation intensity}.

preprint2014arXiv

NMR evidence for enhanced orbital diamagnetism in topologically nontrivial half-Heusler semimetals

209Bi nuclear magnetic resonance (NMR) spectroscopy was employed to probe potential spin-orbit effects on orbital diamagnetism in YPtBi and YPdBi crystals. The observed opposite sign and temperature dependent magnitude of 209Bi NMR shifts of both crystals reveal experimental signatures of enhanced orbital diamagnetism induced by spin-orbit interactions. This investigation indicates that NMR isotropic shifts might be beneficial in search of interesting spin-electronic phases among a vast number of topological nontrivial half-Heusler semimetals.

preprint2014arXiv

Weak Antilocalization Effect and Noncentrosymmetric Superconductivity in a Topologically Nontrivial Semimetal LuPdBi

A large number of half-Heusler compounds have been recently proposed as three-dimensional (3D) topological insulators (TIs) with tunable physical properties.However, no transport measurements associated with the topological surface states have been observed in these half-Heusler candidates due to the dominating contribution from bulk electrical conductance. Here we show that, by reducing the mobility of bulk carriers, a two-dimensional (2D) weak antilocalization (WAL) effect, one of the hallmarks of topological surface states, was experimentally revealed from the tilted magnetic field dependence of magnetoconductance in a topologically nontrivial semimetal LuPdBi. Besides the observation of a 2D WAL effect, a superconducting transition was revealed at Tc~1.7 K in the same bulk LuPdBi. Quantitative analysis within the framework of a generalized BCS theory leads to the conclusion that the noncentrosymmetric superconductivity of LuPdBi is fully gapped with a possibly unconventional pairing character. The co-existence of superconductivity and the transport signature of topological surface states in the same bulk alloy suggests that LuPdBi represents a very promising candidate as a topological superconductor.

preprint2013arXiv

Frustrating antiferromagnetic exchange interactions enhance specific valence-bond-pair motifs

We present variational results for the ground state of the antiferromagnetic quantum Heisenberg model with frustrating next-nearest-neighbour interactions. The trial wave functions employed are of resonating-valence-bond type, elaborated to account for various geometric motifs of adjacent bond pairs. The calculation is specialized to a square-lattice cluster consisting of just sixteen sites, large enough that the system can accommodate nontrivial singlet dimer correlations but small enough that exhaustive enumeration of states in the total spin zero sector is still feasible. A symbolic computation approach allows us to generate an algebraic expression for the expectation value of any observable and hence to carry out the energy optimization exactly. While we have no measurements that could unambiguously identify a spin liquid state in the controversial region at intermediate frustration, we can say that the bond-bond correlation factors that emerge do not appear to be consistent with the existence of a columnar valence bond crystal. Furthermore, our results suggest that the magnetically disordered region may accommodate two distinct phases.

preprint2013arXiv

Large Linear Magnetoresistance and Shubnikov-de Hass Oscillations in Single Crystals of YPdBi Heusler Topological Insulators

We report the observation of a large linear magnetoresistance (MR) and Shubnikov-de Hass (SdH) quantum oscillations in single crystals of YPdBi Heusler topological insulators. Owning to the successfully obtained the high-quality YPdBi single crystals, large non-saturating linear MR of as high as 350% at 5K and over 120% at 300 K under a moderate magnetic field of 7 T is observed. In addition to the large, field-linear MR, the samples exhibit pronounced SdH quantum oscillations at low temperature. Analysis of the SdH data manifests that the high-mobility bulk electron carriers dominate the magnetotransport and are responsible for the observed large linear MR in YPdBi crystals. These findings imply that the Heusler-based topological insulators have superiorities for investigating the novel quantum transport properties and developing the potential applications.

preprint2011arXiv

Influence of tetragonal distortion on the topological electronic structure of the half-Heusler compound LaPtBi from first principles

The electronic structures of tetragonally distorted half-Heuselr compound LaPtBi in the C1b structure are investigated in the framework of density functional theory using the full potential linearized augmented plane with local spin density approximation method. The calculation results show that both the band structures and the Fermi level can be tuned by using either compressive or tensile in-plane strain. A large bulk band gap of 0.3 eV can be induced through the application of a compressive in-pane strain in LaPtBi with the assumption of a relaxed volume of the unit cell. Our results could serve as a guidance to realize topological insulators in half-Heusler compounds by strain engineering.