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Published work

42 published item(s)

preprint2026arXiv

Convex Dataset Valuation for Post-Training

Improving LLM performance on downstream tasks sometimes requires leveraging auxiliary datasets during post-training. In practice, however, developers face constraints on compute, labeling, and licensing costs that preclude using all available data, necessitating principled dataset-level selection. These constraints are increasingly shaped by dataset marketplaces, where data acquisition is governed by budgets and negotiation. We study dataset valuation as a subset selection problem during LLM post-training. Our goal is to identify and weight auxiliary datasets so as to maximize target task performance given constrained budgets. We first show that commonly used gradient alignment scores provide a reasonable yet incomplete valuation signal, as they ignore redundancy among datasets. To address this, we propose a scalable convex dataset-level valuation method based on kernel mean matching (KMM) in gradient space, which jointly accounts for alignment with the target task and redundancy across auxiliary datasets. Through extensive experiments across diverse post-training settings and tasks, we show that our approach consistently outperforms existing valuation baselines, achieving stronger performance with low computational overhead. Our results position dataset valuation as a practical decision tool for post-training data selection in market-constrained large language model settings. The code is available at https://github.com/uiuctml/convex_data_valuation.

preprint2025arXiv

Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions

Improving hydrogen storage density is essential for reducing the extreme conditions required in applications such as nuclear fusion. However, the recognition of metallic hydrogen as the "Holy Grail" of high-pressure science highlights the difficulty of high-density hydrogen aggregation. Here, we report a solid-state crystal H9@C20 formed by embedding hydrogen atoms into C20 fullerene cages and utilizing chemical precompression, which remains stable under ambient pressure and temperature conditions and exhibits metallic properties. This precompression effect is reflected in the formation of C-H bonds within the cage and C-C bonds between cages, resulting in the transformation of all C atoms from sp2 to sp3 hybridization with inward and outward distortions, while promoting delocalized multicenter bonding within the H9 aggregate. In particular, the hydrogen density inside the C20 cage exceeds that of solid hydrogen, achieving a uniform discrete distribution with H9 as monomers. Further study reveals that filling hydrogen molecules into voids between H9@C20 primitive cells can increase hydrogen content while maintaining structural stability, forming a solid-gas mixed hydrogen storage crystal. Our findings provide a basis for developing high-density hydrogen storage materials under ambient conditions.

preprint2022arXiv

Autonomous Electric Vehicle Battery Disassembly Based on NeuroSymbolic Computing

The booming of electric vehicles demands efficient battery disassembly for recycling to be environment-friendly. Due to the unstructured environment and high uncertainties, battery disassembly is still primarily done by humans, probably assisted by robots. It is highly desirable to design autonomous solutions to improve work efficiency and lower human risks in high voltage and toxic environments. This paper proposes a novel framework of the NeuroSymbolic task and motion planning method to disassemble batteries in an unstructured environment using robots automatically. It enables robots to independently locate and disassemble battery bolts, with or without obstacles. This study not only provides a solution for intelligently disassembling electric vehicle batteries but also verifies its feasibility through a set of test results with the robot accomplishing the disassembly tasks in a complex and dynamic environment.

preprint2022arXiv

Cost-effective Network Disintegration through Targeted Enumeration

Finding an optimal subset of nodes or links to disintegrate harmful networks is a fundamental problem in network science, with potential applications to anti-terrorism, epidemic control, and many other fields of study. The challenge of the network disintegration problem is to balance the effectiveness and efficiency of strategies. In this paper, we propose a cost-effective targeted enumeration method for network disintegration. The proposed approach includes two stages: searching for candidate objects and identifying an optimal solution. In the first stage, we use rank aggregation to generate a comprehensive ranking of node importance, upon which we identify a small-scale candidate set of nodes to remove. In the second stage, we use an enumeration method to find an optimal combination among the candidate nodes. Extensive experimental results on synthetic and real-world networks demonstrate that the proposed method achieves a satisfying trade-off between effectiveness and efficiency. The introduced two-stage targeted enumeration framework can also be applied to other computationally intractable combinational optimization problems, from team assembly via portfolio investment to drug design.

preprint2022arXiv

Implicit Sample Extension for Unsupervised Person Re-Identification

Most existing unsupervised person re-identification (Re-ID) methods use clustering to generate pseudo labels for model training. Unfortunately, clustering sometimes mixes different true identities together or splits the same identity into two or more sub clusters. Training on these noisy clusters substantially hampers the Re-ID accuracy. Due to the limited samples in each identity, we suppose there may lack some underlying information to well reveal the accurate clusters. To discover these information, we propose an Implicit Sample Extension (\OurWholeMethod) method to generate what we call support samples around the cluster boundaries. Specifically, we generate support samples from actual samples and their neighbouring clusters in the embedding space through a progressive linear interpolation (PLI) strategy. PLI controls the generation with two critical factors, i.e., 1) the direction from the actual sample towards its K-nearest clusters and 2) the degree for mixing up the context information from the K-nearest clusters. Meanwhile, given the support samples, ISE further uses a label-preserving loss to pull them towards their corresponding actual samples, so as to compact each cluster. Consequently, ISE reduces the "sub and mixed" clustering errors, thus improving the Re-ID performance. Extensive experiments demonstrate that the proposed method is effective and achieves state-of-the-art performance for unsupervised person Re-ID. Code is available at: \url{https://github.com/PaddlePaddle/PaddleClas}.

preprint2022arXiv

The generality of uncooperative and cooperative effects in elementary hydrogen-bonded systems

The cooperative effect plays a significant role in understanding the intermolecular donor-acceptor interactions of hydrogen bonds (H-bonds, D-H...A). Herein, using the benchmark method of high-precision ab initio, the well-known cooperative effect is reproduced in elementary H-bonded systems with different D and A atoms. That is, with the decreasing of intermolecular distance, the D-H bond length first increases and then decreases, while the H...A bond length decreases. On the contrary, when D and A are the same, as the intermolecular distance decreases, the D-H bond length decreases without increasing, which is referred to as the uncooperative effect. Further analyses conclude that compared to cooperative H-bonded systems, uncooperative systems at their respective equilibrium position have a larger core-valence bifurcation (CVB) index (>0.022) and lower binding energies (<0.25 eV), showing a clear linear inverse relationship related to H-bond strength. Therefore, the intermolecular non-H-bonding interactions are predicted to reflect the uncooperative characteristics, which is confirmed by high-precision ab initio calculations. These findings provide a direction for the comprehensive understanding of H-bonds.

preprint2022arXiv

UFO: Unified Feature Optimization

This paper proposes a novel Unified Feature Optimization (UFO) paradigm for training and deploying deep models under real-world and large-scale scenarios, which requires a collection of multiple AI functions. UFO aims to benefit each single task with a large-scale pretraining on all tasks. Compared with the well known foundation model, UFO has two different points of emphasis, i.e., relatively smaller model size and NO adaptation cost: 1) UFO squeezes a wide range of tasks into a moderate-sized unified model in a multi-task learning manner and further trims the model size when transferred to down-stream tasks. 2) UFO does not emphasize transfer to novel tasks. Instead, it aims to make the trimmed model dedicated for one or more already-seen task. With these two characteristics, UFO provides great convenience for flexible deployment, while maintaining the benefits of large-scale pretraining. A key merit of UFO is that the trimming process not only reduces the model size and inference consumption, but also even improves the accuracy on certain tasks. Specifically, UFO considers the multi-task training and brings two-fold impact on the unified model: some closely related tasks have mutual benefits, while some tasks have conflicts against each other. UFO manages to reduce the conflicts and to preserve the mutual benefits through a novel Network Architecture Search (NAS) method. Experiments on a wide range of deep representation learning tasks (i.e., face recognition, person re-identification, vehicle re-identification and product retrieval) show that the model trimmed from UFO achieves higher accuracy than its single-task-trained counterpart and yet has smaller model size, validating the concept of UFO. Besides, UFO also supported the release of 17 billion parameters computer vision (CV) foundation model which is the largest CV model in the industry.

preprint2020arXiv

A short-range metastable defect in the double layer ice

Although the phase of water has extensively investigated whether there exists a defect distorting only locally the structure still under debate. Here we report a localized 5775 defect phase presented in the double layer ice on the Au (111) surface, which is a metastable structure with 5- and 7-membered rings compared with a perfect hexagonal one. Without altering the total number of the hydrogen bonds of the ice, the defect only introduces 0.08 Å molecular displacement and 3.27% interaction energy change outside the defected area. Such defect also exists without Au support but causes a larger lattice relaxation or smaller interaction energy change. The excessively high barrier as well as the low quantum tunneling and thermodynamic probabilities hinder the formation of the defect by post-grown isomerization from the perfect to the defected structure. This finding indicates that the defected ice is stable, and the defect can be formed during the ice growth stage.

preprint2020arXiv

Are We Ready for Service Robots? The OpenLORIS-Scene Datasets for Lifelong SLAM

Service robots should be able to operate autonomously in dynamic and daily changing environments over an extended period of time. While Simultaneous Localization And Mapping (SLAM) is one of the most fundamental problems for robotic autonomy, most existing SLAM works are evaluated with data sequences that are recorded in a short period of time. In real-world deployment, there can be out-of-sight scene changes caused by both natural factors and human activities. For example, in home scenarios, most objects may be movable, replaceable or deformable, and the visual features of the same place may be significantly different in some successive days. Such out-of-sight dynamics pose great challenges to the robustness of pose estimation, and hence a robot's long-term deployment and operation. To differentiate the forementioned problem from the conventional works which are usually evaluated in a static setting in a single run, the term \textit{lifelong SLAM} is used here to address SLAM problems in an ever-changing environment over a long period of time. To accelerate lifelong SLAM research, we release the OpenLORIS-Scene datasets. The data are collected in real-world indoor scenes, for multiple times in each place to include scene changes in real life. We also design benchmarking metrics for lifelong SLAM, with which the robustness and accuracy of pose estimation are evaluated separately. The datasets and benchmark are available online at https://lifelong-robotic-vision.github.io/dataset/scene.

preprint2020arXiv

Unidirectional Oriented Water Wire in Short Nanotube

The orientation of water molecules is the key factor for the fast transport of water in small nanotubes. It has been accepted that the bidirectional water burst in short nanotubes can be transformed into unidirectional transport when the orientation of water molecules is maintained in long nanotubes under the external field. In this work, based on molecular dynamics simulations and first-principles calculations, we showed without external field, it only needs 21 water molecules to maintain the unidirectional single file water intrinsically in carbon nanotube at seconds. Detailed analysis indicates that the surprising result comes from the step by step process for the flip of water chain, which is different with the perceived concerted mechanism. Considering the thickness of cell membrane (normally 5-10 nm) is larger than the length threshold of the unidirectional water wire, this study suggests it may not need the external field to maintain the unidirectional flow in the water channel at the macroscopic timescale.

preprint2016arXiv

Electronic structure contribution to hydrogen bonding interaction of a water dimer

Hydrogen bond (H-bond) covalency has recently been observed in ice and liquid water, while the penetrating molecular orbitals (MOs) in the H-bond region of most typical water dimer system, (H2O)2, have also been discovered. However, obtaining the quantitative contribution of these MOs to the H-bond interaction is still problematic. In this work, we introduced the orbital-resolved electron density projected integral (EDPI) along the H-bond to approach this problem. The calculations show that, surprisingly, the electronic occupied orbital (HOMO-4) of (H2O)2 accounts for about 40% of the electron density at the bond critical point. Moreover, the charge transfer analysis visualizes the electron accumulating effect of the orbital interaction within the H-bond between water molecules, supporting its covalent-like character. Our work expands the classical understanding of H-bond with specific contributions from certain MOs, and will also advance further research into such covalency and offer quantitative electronic structure insights into intermolecular systems.

preprint2015arXiv

Covalent features in the hydrogen bond of a water dimer: molecular orbital analysis

The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs) crossing the O and H atoms of the hydrogen-bond in water dimer. Energy decomposition analysis also shows a non-negligible contribution of the induction term. These results illustrate the covalent-like character of the hydrogen bond between water molecules, which contributes to the essential understanding of ice, liquid water, related materials, and life sciences.

preprint2015arXiv

Neutrino Physics with JUNO

The Jiangmen Underground Neutrino Observatory (JUNO), a 20 kton multi-purpose underground liquid scintillator detector, was proposed with the determination of the neutrino mass hierarchy as a primary physics goal. It is also capable of observing neutrinos from terrestrial and extra-terrestrial sources, including supernova burst neutrinos, diffuse supernova neutrino background, geoneutrinos, atmospheric neutrinos, solar neutrinos, as well as exotic searches such as nucleon decays, dark matter, sterile neutrinos, etc. We present the physics motivations and the anticipated performance of the JUNO detector for various proposed measurements. By detecting reactor antineutrinos from two power plants at 53-km distance, JUNO will determine the neutrino mass hierarchy at a 3-4 sigma significance with six years of running. The measurement of antineutrino spectrum will also lead to the precise determination of three out of the six oscillation parameters to an accuracy of better than 1\%. Neutrino burst from a typical core-collapse supernova at 10 kpc would lead to ~5000 inverse-beta-decay events and ~2000 all-flavor neutrino-proton elastic scattering events in JUNO. Detection of DSNB would provide valuable information on the cosmic star-formation rate and the average core-collapsed neutrino energy spectrum. Geo-neutrinos can be detected in JUNO with a rate of ~400 events per year, significantly improving the statistics of existing geoneutrino samples. The JUNO detector is sensitive to several exotic searches, e.g. proton decay via the $p\to K^++\barν$ decay channel. The JUNO detector will provide a unique facility to address many outstanding crucial questions in particle and astrophysics. It holds the great potential for further advancing our quest to understanding the fundamental properties of neutrinos, one of the building blocks of our Universe.

preprint2014arXiv

Anisotropic Fabry-Pérot resonant states confined within nano-steps on the topological insulator surface

The peculiar nature of topological surface states, such as absence of backscattering, weak anti-localization, and quantum anomalous Hall effect, has been demonstrated mainly in bulk and film of topological insulator (TI), using surface sensitive probes and bulk transport probes. However, it is equally important and experimentally challenging to confine massless Dirac fermions with nano-steps on TI surfaces. This potential structure has similar ground with linearly-dispersed photons in Fabry-Pérot resonators, while reserving fundamental differences from well-studied Fabry-Pérot resonators and quantum corrals on noble metal surfaces. In this paper, we study the massless Dirac fermions confined within steps along the $x$ ($Γ\mathtt{-}$K) or $y$ ($Γ\mathtt{-}$M) direction on the TI surface, and the Fabry-Pérot-like resonances in the electronic local density of states (LDOS) between the steps are found. Due to the remarkable warping effect in the topological surface states, the LDOS confined in the step-well running along $Γ$-M direction exhibit anisotropic resonance patterns as compared to those in the step-well along $Γ$-K direction, which can be detected by scanning tunneling microscopy. The transmittance properties and spin orientation of Dirac fermion in both cases are also anisotropic in the presence of warping effect.

preprint2014arXiv

Simulation of background reduction and Compton depression in low-background HPGe spectrometer at a surface laboratory

High-purity germanium detectors are well suited to analysis the radioactivity of samples. In order to reduce the environmental background, low-activity lead and oxygen free copper are installed outside of the probe to shield gammas, outmost is a plastic scintillator to veto the cosmic rays, and an anti-Compton detector can improve the Peak-to-Compton ratio. Using the GEANT4 tools and taking into account a detailed description of the detector, we optimize the sizes of the detectors to reach the design indexes. A group of experimental data from a HPGe spectrometer in using were used to compare with the simulation. As to new HPGe Detector simulation, considering the different thickness of BGO crystals and anti-coincidence efficiency, the simulation results show that the optimal thickness is 5.5cm, and the Peak-to-Compton ratio of 40K is raised to 1000 when the anti-coincidence efficiency is 0.85. As the background simulation, 15 cm oxygen-free copper plus 10 cm lead can reduce the environmental gamma rays to 0.0024 cps/100 cm3 Ge (50keV~2.8MeV), which is about 10-5 of environmental background.

preprint2013arXiv

Antifferomagnetic FeSe monolayer on SiTiO$_{3}$: The charge doping and electric field effects

We present theoretically the electronic structure of antiferromagnetic (AFM) FeSe monolayer on TiO$_{2}$ terminated SrTiO$_{3}$(001) surface. It is revealed that the striking disappearance of the Fermi surface around the Brillouin zone (BZ) center can be well explained by the antiferromatnetic (AFM) phase. We show that the system has a considerable charge transfer from SrTiO$_{3}$(001) substrate to FeSe monolayer, and so has a self-constructed electric field. The FeSe monolayer band structure near the BZ center is sensitive to charge doping, and the spin-resolved energy bands at BZ corner are distorted to be flattened by the perpendicular electric field. We propose a tight-binding model Hamiltonian to take these key factors into account. We also show that this composite structure is an ideal electron-hole bilayer system, with electrons and holes respectively formed in FeSe monolayer and TiO$_{2}$ surface layer.

preprint2013arXiv

Electron Delocalization Determined Anomalous Stability in Small Water Rings

Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of very small water clusters significantly deviates from this mechanism and instead involves both hydrogen bonding and electron delocalization. Our density functional theory calculations show that small water rings (H2O)n of n=3 or 4 show strong electron delocalization originating from both the hydrogen and oxygen atoms and extending to the ring center. This is very different from larger rings. Further energy decomposition of rings with n=3-6 demonstrates an upward trend in the polarization component but an decrease in the electrostatic and exchange repulsion components, presenting a minimum and accounting for 33% of interaction energy at n=3. This significantly promotes stability of the small water rings. Our findings provide a comprehensive analysis and improve our understanding of the stability characteristics of water clusters.

preprint2013arXiv

Fractional quantum Hall effect of topological surface states under a strong tilted magnetic field

The fractional quantum Hall effect (FQHE) of topological surface-state particles under a tilted strong magnetic field is theoretically studied by using the exact diagonalization method. The Haldane's pseudopotentials for the Coulomb interaction are analytically obtained. The results show that by increasing the in-plane component of the tilted magnetic field, the FQHE state at $n$=0 Landau level (LL) becomes more stable, while the stabilities of $n$=$\pm1$ LLs become weaker. Moreover, we find that the excitation gaps of the $ν=1/3$ FQHE states increase as the tilt angle is increased.

preprint2013arXiv

Strong Adsorption between Uranium Dicarbide and Graphene Surface Induced by f Electrons

The interaction between gaseous uranium dicarbide and graphite is significant for the safety control and design of Gen-IV nuclear energy system. In this article, the interaction mechanism has been studied using a simplified model of adsorption of two typical UC2 isomers (linear CUC and symmetric triangular structures) on graphene based on density functional theory calculations. The results reveal strong chemisorption characteristics between the UC2 and graphene, which is found different from the conventional weak intermolecular interaction. Interestingly, although the CUC structure can induce a double sp3-hybridization at the graphene, the most stable adsorption structure is formed by the triangular UC2 adsorbed at the hollow site of the graphene. Further bonding analysis indicates that the U 5f orbitals of the triangular UC2 are more active than that in the CUC, providing a larger effective bonding area in the adsorption system. Our calculations are helpful for understanding the role of actinide compounds in adsorption on carbon nanomaterials surface, especially for elucidating the bonding properties of 5f electrons.

preprint2013arXiv

Structural and electronic properties of uranium-encapsulated Au14 cage

The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more stable than the empty Au14-cage, with a triplet ground electronic state for U@Au14. Analysis of the electronic structure shows that the two frontier single-occupied molecular orbital electrons of U@Au14 mainly originate from the 5f shell of the U atom after charge transfer. Meanwhile, the bonding orbitals have both the 5f and 6d components of the U atom, along with the 5d and 6s components of the Au atoms, indicating the covalent nature of the interaction between the U and Au atoms. Moreover, the charge population analysis shows that this nanostructure displays some unique electronic properties where the encapsulated atom gains electrons while the outer shell loses electrons. Therefore, this designed U@Au14 nano-cage structure is stabilized by ionocovalent interactions. The current findings provide theoretical basis for future syntheses and further study of actinide doped gold nanoclusters, which might subsequently facilitate applications of such structure in radio-labeling, nanodrug carrier and other biomedical applications.

preprint2013arXiv

The effect of the warping term on the fractional quantum Hall states in topological insulators

The warping effect on the fractional quantum Hall (FQH) states in topological insulators is studied theoretically. Based on the perturbed wavefunctions, which include contributions from the warping term, analytical expressions for Haldane's pseudopotentials are obtained. We show that the warping term does not break the symmetry of the pseudopotentials for $n$=$\pm1$ Landau levels (LLs). With increasing the warping strength of the Fermi surface, our results indicate that the stability of the FQH states for LL $n=0$ (LLs $n$=$\pm1$) becomes stronger (weaker), and the excitation gap at $ν=1/3$ FQH state for LL $n$=0 also increases while the gaps for LLs $n$=$\pm1$ are unchanged.

preprint2012arXiv

Excitonic condensation for the surface states of topological insulator bilayers

We propose a generic topological insulator bilayer (TIB) system to study the excitonic condensation with self-consistent mean-field (SCMF) theory. We show that the TIB system presents the crossover behavior from the Bardeen-Cooper-Schrieffer (BCS) limit to Bose-Einstein condensation (BEC) limit. Moreover, by comparison with traditional semiconductor systems, we find that for the present system the superfluid property in the BEC phase is more sensitive to electron-hole density imbalance and the BCS phase is more robust. Applying this TIB model into Bi$_{2}$Se$_{3}$-family material, we find that the BEC phase is most probable to be observed in experiment. We also calculate the critical temperature for Bi$_{2}$Se$_{3}$-family TIB system, which is $\mathtt{\sim}100$ K. More interestingly, we can expect this relative high-temperature excitonic condensation since our calculated SCMF critical temperature is approximately equal to the Kosterlitz-Thouless transition temperature.

preprint2012arXiv

Fractional quantum Hall effect in topological insulators: The role of Zeeman effect

We study the role of Zeeman effect in fractional quantum Hall effect (FQHE) on the surface of topological insulators (TIs). We show that the effective pseudopotentials of the Coulomb interaction are reformed due to Zeeman effect, which are quite different from those in graphene. By exactly diagonalizing the many-body Hamiltonian in the sphere geometry, we find that the ground state energies and the excitation gaps at $ν$=1/3 FQHE between the $n$=$\pm1$ Landau levels (LLs) render asymmetry, and the FQHE state at the $n$=1 LL is more robust than that at $n$=-1 LL since the excitation gap at $n$=1 LL is larger than that at $n$=-1 LL.

preprint2012arXiv

Magnetoexcitons and optical absorption of bilayer-structured topological insulators

Optical absorption properties of magnetoexcitons in topological insulator bilayers under a strong magnetic field are theoretically studied. A general analytical formula of optical absorption selection rule is obtained in the noninteracting as well as Coulomb intra-Landau-level interacting cases, which remarkably helps to interpret the resonant peaks in absorption spectroscopy and the corresponding formation of Dirac-type magnetoexcitons. We also discuss the optical absorption spectroscopy of magnetoexcitons in the presence of inter-Landau-level Coulomb interaction, which becomes more complex. Our results could be detected in the magneto-optical experiments.

preprint2012arXiv

Pseudo-magnetoexcitons in strained graphene bilayers without external magnetic fields

The structural and electronic properties of graphene leads its charge carriers to behave like relativistic particles, which is described by a Dirac-like Hamiltonian. Since graphene is a monolayer of carbon atoms, the strain due to elastic deformations will give rise to so-called `pseudomagnetic fields (PMF)' in graphene sheet, and that has been realized experimentally in strained graphene sample. Here we propose a realistic strained graphene bilayer (SGB) device to detect the pseudo-magnetoexcitons (PME) in the absence of external magnetic field. The carriers in each graphene layer suffer different strong PMFs due to strain engineering, which give rise to Landau quantization. The pseudo-Landau levels (PLLs) of electron-hole pair under inhomogeneous PMFs in SGB are analytically obtained in the absence of Coulomb interactions. Based on the general analytical optical absorption selection rule for PME, we show that the optical absorption spectrums can interpret the corresponding formation of Dirac-type PME. We also predict that in the presence of inhomogeneous PMFs, the superfluidity-normal phase transition temperature of PME is greater than that under homogeneous PMFs.}

preprint2012arXiv

Quantum Corrals and Quantum Mirages on the Surface of a Topological Insulator

We study quantum corrals on the surface of a topological insulator (TI). Different resonance states induced by nonmagnetic (NM), antiferromagnetic (AFM), and ferromagnetic (FM) corrals are found. Intriguingly, the spin is clearly energy-resolved in a FM corral, which can be effectively used to operate surface carrier spins of TI. We also show that an observable quantum mirage of a magnetic impurity can be projected from the occupied into the empty focus of a FM elliptic corral, while in NM and AFM corrals the mirage signal becomes negligibly weak. In addition, the modulation of the interaction between two magnetic impurities in the quantum corrals is demonstrated. These prominent effects may be measured by spin-polarized STM experiments.

preprint2012arXiv

Quasiparticle states and quantum interference induce by magnetic impurities on a two-dimensional topological superconductor

We theoretically study the effect of localized magnetic impurities on two-dimensional topological superconductor (TSC). We show that the local density of states (LDOS) can be tuned by the effective exchange field $m$, the chemical potential $μ$ of TSC, and the distance $Δr$ as well as relative spin angle $α$ between two impurities. The changes in $Δr$ between two impurities alter the interference and result in significant modifications to the bonding and antibonding states. Furthermore, the bound-state spin LDOS induced by single and double magnetic impurity scattering, the quantum corrals, and the quantum mirages are also discussed. Finally, we briefly compare the impurities in TSC with those in topological insulators.

preprint2012arXiv

Superfluidity and effective mass of magnetoexcitons in topological insulator bilayers: Effect of inter-Landau-level Coulomb interaction

The effective mass and superfluidity-normal phase transition temperature of magnetoexcitons in topological insulator bilayers are theoretically investigated. The intra-Landau-level Coulomb interaction is treated perturbatively, from which the effective magnetoexciton mass is analytically discussed. The inclusion of inter-Landau-level Coulomb interaction by more exact numerical diagonalization of the Hamiltonian brings out important modifications to magnetoexciton properties, which are specially characterized by prominent reduction in the magnetoexciton effective mass and promotion in the superfluidity-normal phase transition temperature at a wide range of external parameters.

preprint2012arXiv

Theory of multiple magnetic scattering for quasiparticles on a gapless topological insulator surface

We develop a general low-energy multiple-scattering partial-wave theory for gapless topological insulator (TI) surfaces in the presence of magnetic impurities. As applications, we discuss the differential cross section (CS) $dΛ/dφ$, the total CS $Λ_{tot}$, the Hall component of resistivity $Ω$, and inverse momentum relaxation time $Γ_{M}$ for single- and two-centered magnetic scattering. We show that differing from the nonmagnetic impurity scattering, $s\mathtt{-}$wave approximation is not advisable and convergent in the present case. The symmetry of CS is reduced and the backscattering occurs and becomes stronger with increasing the effective magnetic moment $M$ of single magnetic impurity. We show a non-zero perpendicular resistivity component $Ω$, which may be useful for tuning the Hall voltage of the sample. Consistent with the analysis of $dΛ/dφ$, by comparing $Γ_{M}$ with $Λ_{tot}$, we can determine different weights of backscattering and forward scattering. Similar to CS, $Ω$ and $Γ_{M}$ also exhibit oscillating behavior for multiple magnetic scattering centers due to interference effect.

preprint2011arXiv

Magnetic quantum oscillations of the topological insulator surface states

We study quantum oscillations of the magnetization in Bi$_{2}$Se$_{3}$(111) surface system in the presence of a perpendicular magnetic field. The combined spin-chiral Dirac cone and Landau quantization produce profound effects on the magnetization properties that are fundamentally different from those in the conventional semiconductor two-dimensional electron gas. In particular, we show that the oscillating center in the magnetization chooses to pick up positive or negative values depending on whether the zero-mode Landau level is occupied or empty. An intuitive analysis of these new features is given and the subsequent effects on the magnetic susceptibility and Hall conductance are also discussed.

preprint2011arXiv

Multiple scattering theory of quasiparticles on a topological insulator surface

A general partial-wave multiple scattering theory for scattering from cylindrically symmetric potentials on a topological insulator (TI) surface is developed. As an application, the cross sections for a single scatterer and two scatterers are discussed. We find that the symmetry of differential cross section is reduced and the backscattering is allowed for massive Dirac fermions on gapped TI surface. Remarkably, a sharp resonance peak at the band edge of the gapped TI is found in the total cross section $Λ_{tot}$, which may offer a useful way to determine the gap (as well as the effective mass of quasiparticles) on TI surface. We show that the interference effect is obvious in cross sections during the quasiparticle scattering between the scatterer pair, and additional resonance peaks are introduced in $Λ_{tot}$ when the higher partial waves are taken into account.

preprint2011arXiv

Neutron-gamma discrimination of CsI(Na) crystals for dark matter searches

The luminescent properties of CsI(Na) crystals are studied in this report. By using a TDS3054C oscilloscope with a sampling frequency of 5 GS/s, we find out that nuclear recoil signals are dominated by very fast light pulse with a decay time of ~20 ns, while γ-ray signals have a decay time of ~600 ns. The wavelength of nuclear recoil and γ-ray signals are also different. The study of n/γ separation shows that the rejection factor can reach an order of 10-7 with signal efficiency more than 80% at an equivalent electron recoil energy of 20 keV or more. Such a property makes CsI(Na) an ideal candidate for dark matter searches.

preprint2011arXiv

Quantum spin Hall effect and spin-charge separation in a kagome lattice

A two-dimensional kagome lattice is theoretically investigated within a simple tight-binding model, which includes the nearest neighbor hopping term and the intrinsic spin-orbit interaction between the next nearest neighbors. By using the topological winding properties of the spin-edge states on the complex-energy Riemann surface, the spin Hall conductance is obtained to be quantized as $-e/2π$ ($e/2π$) in insulating phases. This result keeps consistent with the numerical linear-response calculation and the \textbf{Z}$_{2}$ topological invariance analysis. When the sample boundaries are connected in twist, by which two defects with $π$ flux are introduced, we obtain the spin-charge separated solitons at 1/3 (or 2/3) filling.

preprint2011arXiv

The fast light of CsI(Na) crystals

The responds of different common alkali halide crystals to alpha-rays and gamma-rays are tested in our research. It is found that only CsI(Na) crystals have significantly different waveforms between alpha and gamma scintillations, while others have not this phenomena. It is suggested that the fast light of CsI(Na) crystals arises from the recombination of free electrons with self-trapped holes of the host crystal CsI. Self-absorption limits the emission of fast light of CsI(Tl) and NaI(Tl) crystals.

preprint2010arXiv

Chiral topological excitonic insulator in semiconductor quantum wells

We present a scheme to realize the chiral topological excitonic insulator in semiconductor heterostructures which can be experimentally fabricated with a coupled quantum well adjacent to twoferromagnetic insulating films. The different mean-field chiral topological orders, which are due to the change in the directions of the magnetization of the ferromagnetic films, can be characterized by the TKNN numbers in the bulk system as well as by the winding numbers of the gapless states in the edged system. Furthermore, we propose an experimental scheme to detect the emergence of the chiral gapless edge state and distinguish different chiral topological orders by measuring the thermal conductance.

preprint2010arXiv

Determining global mean-first-passage time of random walks on Vicsek fractals using eigenvalues of Laplacian matrices

The family of Vicsek fractals is one of the most important and frequently-studied regular fractal classes, and it is of considerable interest to understand the dynamical processes on this treelike fractal family. In this paper, we investigate discrete random walks on the Vicsek fractals, with the aim to obtain the exact solutions to the global mean first-passage time (GMFPT), defined as the average of first-passage time (FPT) between two nodes over the whole family of fractals. Based on the known connections between FPTs, effective resistance, and the eigenvalues of graph Laplacian, we determine implicitly the GMFPT of the Vicsek fractals, which is corroborated by numerical results. The obtained closed-form solution shows that the GMFPT approximately grows as a power-law function with system size (number of all nodes), with the exponent lies between 1 and 2. We then provide both the upper bound and lower bound for GMFPT of general trees, and show that leading behavior of the upper bound is the square of system size and the dominating scaling of the lower bound varies linearly with system size. We also show that the upper bound can be achieved in linear chains and the lower bound can be reached in star graphs. This study provides a comprehensive understanding of random walks on the Vicsek fractals and general treelike networks.

preprint2010arXiv

Orbital magnetization of the electron gas on a two-dimensional kagome lattice under a perpendicular magnetic field

The orbital magnetization of the electron gas on a two-dimensional kagome lattice under a perpendicular magnetic field is theoretically investigated. The interplay between the lattice geometry and magnetic field induce nontrivial $k$-space Chern invariant in the magnetic Brillouin zone, which turns to result in profound effects on the magnetization properties. We show that the Berry-phase term in the magnetization gives a paramagnetic contribution, while the conventional term brought about by the magnetic response of the magnetic Bloch bands produces a diamagnetic contribution. As a result, the superposition of these two components gives rise to a delicate oscillatory structure in the magnetization curve when varying the electron filling factor. The relationship between this oscillatory behavior and the Hofstadter energy spectrum is revealed by selectively discussing the magnetization and its two components at the commensurate fluxes of $f$=1/4, 1/3, and 1/6, respectively. In particular, we reveal as a typical example the fractal structure in the magnetic oscillations by tuning the commensurate flux around $f$=1/4. The finite-temperature effect on the magnetization is also discussed.

preprint2009arXiv

An alternative approach to determining average distance in a class of scale-free modular networks

Various real-life networks of current interest are simultaneously scale-free and modular. Here we study analytically the average distance in a class of deterministically growing scale-free modular networks. By virtue of the recursive relations derived from the self-similar structure of the networks, we compute rigorously this important quantity, obtaining an explicit closed-form solution, which recovers the previous result and is corroborated by extensive numerical calculations. The obtained exact expression shows that the average distance scales logarithmically with the number of nodes in the networks, indicating an existence of small-world behavior. We present that this small-world phenomenon comes from the peculiar architecture of the network family.

preprint2009arXiv

Fractional topological excitations and quantum phase transition in a bilayer 2DEG adjacent to a superconductor film

We study a bilayer two-dimension-electron-gas (2DEG) adjacent to a type-II superconductor thin film with a pinned vortex lattice. We find that with increasing interlayer tunneling, the system of half filling presents three phases: gapped phase-I (topological insulator), gapless critical phase-II (metal), and gapped phase-III (band insulator). The Hall conductance for phase-I/III is 2/0 $e^{2}/h$, and has non-quantized values in phase-II. The excitation (response to topological defect, a local vortex defect) in these three phases shows different behaviors due to the topological property of the system, including fractional charge $e/2$ for each layer in phase-I. While in the case of quarter filling, the system undergoes a quantum phase transition from metallic phase to topological insulator phase (with excitation of fractional charge $e/4$).

preprint2009arXiv

Magnetization in two-dimensional electron gas in a perpendicular magnetic field: the roles of edge states and spin-orbit coupling

We study the de Haas--van Alphen (dHvA) oscillations in the magnetization of a two-dimensional electron gas (2DEG) under the influence of the edge states and/or the Rashba spin-orbit interaction (SOI). The boundaries of the systems lift partially the degeneracies of Landau levels (LL's) and the resulting edge states lead to the changes of both the center and the amplitude of the sawtoothlike magnetization oscillation. The SOI mixes the spin-up and spin-down states of neighboring LL's into two unequally spaced energy branches. The inclusion of SOI changes the well-defined sawtooth pattern of the dHvA oscillations in the magnetization. The weaker the magnetic field is, the larger is the change of the dHvA oscillations due to the edge effect and/or the spin-orbit coupling. Some theoretical results are compared with the experimental data.

preprint2009arXiv

Topological winding properties of spin edge states in Kane-Mele graphene model

We study the spin edge states in the quantum spin-Hall (QSH) effect on a single-atomic layer graphene ribbon system with both intrinsic and Rashba spin-orbit couplings. The Harper equation for solving the energies of the spin edge states is derived. The results show that in the QSH phase, there are always two pairs of gapless spin-filtered edge states in the bulk energy gap, corresponding to two pairs of zero points of the Bloch function on the complex-energy Riemann surface (RS). The topological aspect of the QSH phase can be distinguished by the difference of the winding numbers of the spin edge states with different polarized directions cross the holes of the RS, which is equivalent to the Z2 topological invariance proposed by Kane and Mele [Phys. Rev. Lett. 95, 146802 (2005)].