arXiv subjects

Xiaotian Wang

Publications and source records attributed to Xiaotian Wang.

54 records · Page 3Linked to original sources

arXiv2023

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.

cond-mat.mtrl-sci↗

arXiv2022

Single pair of type-III Weyl points half-metals: BaNiIO$_6$ as an example

The realization of Weyl systems with the minimum nonzero number of Weyl points (WPs) and full spin polarization remains challenging in topology physics and spintronic. In this study, for the first time, we used first-principle calculations and symmetry analysis to demonstrate that BaNiIO$_6$, a dynamically and thermodynamically stable half-metallic material, hosts fully spin-polarized single-pair WPs (SP-WPs) with a charge number ($\cal{C}$) of $\pm$2 and a type-\uppercase\expandafter{\romannumeral3} band dispersion around the Fermi level. Moreover, the fully spin-polarized SP-WPs induce double-helicoid Fermi arcs on the (10$\overline{1}$0) surface. The half-metallic state and the spin-polarized SP-WPs are robust to uniform strains (from -10\% to +8\%) and on-site Hubbard-Coulomb interactions (from 0 eV to 6 eV). When +9 % or +10 % uniform strain is applied to the BaNiIO$_6$ system, it hosts six additional type-\uppercase\expandafter{\romannumeral2} WPs with $\lvert{\cal{C}}\rvert=1$ in the three-dimensional Brillouin zone in addition to the two type-\uppercase\expandafter{\romannumeral3} WPs with $\lvert{\cal{C}}\rvert=2$. We hope that this study will motivate future research into SP-WPs half-metals.

cond-mat.mtrl-sci↗

arXiv2022

Dirac phonons in two-dimensional materials

Phonons are an ideal platform for realizing stable spinless two-dimensional (2D) Dirac points because they have a bosonic nature and hard-to-break time-reversal symmetry. It should be noted that the twofold degenerate nodal points in the phonon dispersions of almost all reported 2D materials are misclassified as 'Dirac points' owing to a historical issue. The correct name for these twofold degenerate nodal points should be 'Weyl' because 2D phononic systems are essentially spinless and because each twofold degenerate point is described by a Weyl model in two dimensions. To date, there have been no reports of fourfold degenerate Dirac point phonons in 2D materials. In this study, we searched through the entire 80 layer groups (LGs) and discovered that Dirac phonons can be realized in 7 of the 80 LGs. Moreover, the Dirac points in the phonon dispersions of 2D materials can be divided into essential and accidental degenerate points, which appear at high-symmetry points and on high-symmetry lines, respectively. Guided by symmetry analysis, we identified the presence of Dirac phonons in several 2D material candidates with six LGs. This letter offers a method for identifying Dirac phonons in 2D and proposes 2D material candidates for realizing Dirac phonons.

cond-mat.mtrl-sci↗

arXiv2022

A possible electronic state quasi-half-valley-metal in $\mathrm{VGe_2P_4}$ monolayer

One of the key problems in valleytronics is to realize valley polarization. Ferrovalley (FV) semiconductor and half-valley-metal (HVM) have been proposed, which possess intrinsic spontaneous valley polarization. Here, we propose the concept of quasi-half-valley-metal (QHVM), including electron and hole carriers with only a type of carriers being valley polarized. The QHVM may realize separation function of electron and hole. A concrete example of $\mathrm{VGe_2P_4}$ monolayer is used to illustrate our proposal through the first-principle calculations. To better realize QHVM, the electric field is applied to tune related valley properties of $\mathrm{VGe_2P_4}$. Within considered electric field range, $\mathrm{VGe_2P_4}$ is always ferromagnetic (FM) ground state, which possesses out-of-plane magnetization by calculating magnetic anisotropy energy (MAE) including magnetic shape anisotropy (MSA) and magnetocrystalline anisotropy (MCA) energies. These out-of-plane FM properties guarantee intrinsic spontaneous valley polarization in $\mathrm{VGe_2P_4}$. Within a certain range of electric field, the QHVM can be maintained, and the related polarization properties can be effectively tuned. Our works pave the way toward two-dimensional (2D) functional materials design of valleytronics.

cond-mat.mtrl-sci↗

arXiv2022

Hourglass Charge-Three Weyl Phonons

Unconventional Weyl point with nonlinear dispersion features higher topological charge $|{\cal{C}}|>1$ and multiple topologically protected Fermi arc states at its boundary. As a novel topological state, it has been attracting widespread attention. However, the unconventional Weyl point with $|{\cal{C}}|=3$ has not yet been reported in realistic materials, even though it has been theoretically proposed for more than a decade. In this work, based on first-principles calculations and theoretical analysis, we predict the existing material, $\rmα$-LiIO$_3$ as the first realistic example with this unconventional Weyl point. Particularly, in the phonon spectra of $\rmα$-LiIO$_3$, two Weyl points with ${\cal{C}}=-3$, connected by time-reversal symmetry, appear at the neck crossing-point of a hourglass-type band, leading to two hourglass charge-3 Weyl phonons. The symmetry protection and the associated novel triple- and sextuple-helicoid surface arc states of the hourglass charge-3 Weyl phonons are revealed. Our results uncover a hidden topological character of $\rmα$-LiIO$_3$ and also show that the phonon spectra is a great platform for exploring unconventional topological states.

cond-mat.mtrl-sci↗

arXiv2022

Cr$_3$X$_4$ (X=Se, Te) monolayers as new platform to realize robust spin filter, spin diode and spin valve

Two-dimensional ferromagnetic (FM) half-metals are promising candidates for advanced spintronic devices with small-size and high-capacity. Motivated by recent report on controlling synthesis of FM Cr$_3$Te$_4$ nanosheet, herein, to explore the potential application in spintronics, we designed spintronic devices based on Cr$_3$X$_4$ (X=Se, Te) monolayers and investigated their spin transport properties. We found that Cr$_3$Te$_4$ monolayer based device shows spin filtering and dual spin diode effect when applying bias voltage, while Cr$_3$S$_4$ monolayer is an excellent platform to realize a spin valve. The different transport properties are primarily ascribed to the semiconducting spin channel, which is close to and away from the Fermi level in Cr$_3$Te$_4$ and Cr$_3$Se$_4$ monolayers, respectively. Interestingly, the current in monolayer Cr$_3$Se$_4$ based device also displays a negative differential resistance effect (NDRE) and a high magnetoresistance ratio (up to 2*10$^3$). Moreover, we found thermally induced spin filtering effect and NDRE in Cr$_3$Se$_4$ junction when applying temperature gradient instead of bias voltage. These theoretical findings highlight the potential of Cr$_3$X$_4$ (X=Se, Te) monolayers in spintronic applications and put forward realistic materials to realize nanosale spintronic device.

cond-mat.mtrl-sci↗

arXiv2022

Single Pair of Weyl Points in Nonmagnetic Crystals

Topological semimetal states having the minimal number, i.e., only a single pair, of Weyl points are desirable for the study of effects associated with chiral topological charges. So far, the search for such states is focused on magnetic spinful systems. Here, we find that nonmagnetic spinless systems can host a class of single-pair-Weyl-point (SP-WP) states, where the two Weyl points are located at two high-symmetry time-reversal-invariant momenta. We identify 32 candidate space groups that host such states, and we show that the chiral charge of each Weyl point in the SP-WP state must be an even integer. Besides achieving the minimal number, Weyl points in SP-WP states are far separated in momentum space, making the physics of each individual point better exposed. The large separation combined with the even topological charge lead to extended surface Fermi loops with a non-contractible winding topology on the surface Brillouin zone torus, distinct from conventional Weyl semimetals. We confirm our proposal in the phonon spectra of two concrete materials TlBO$_2$ and KNiIO$_6$. Our finding applies to a wide range of systems, including electronic, phononic, and various artificial systems. It offers a new direction for the search of ideal platforms to study chiral particles.

cond-mat.mtrl-sci↗

arXiv2021

Coexistence of zero-, one- and two-dimensional degeneracy in tetragonal SnO$_2$ phonons

Based on the dimension of degeneracy, topological electronic systems can roughly be divided into three parts: nodal point, line and surface materials corresponding to zero-, one- and two-dimensional degeneracy, respectively. In parallel to electronic systems, the concept of topology was extended to phonons, promoting the birth of topological phonons. Till date, few nodal point, line and surface phonons candidates have been predicted in solid-state materials. In this study, based on symmetry analysis and first-principles calculation, for the first time, we prove that zero-, one- and two-dimensional degeneracy co-exist in the phonon dispersion of one single realistic solid-state material SnO$_2$ with \textit{P}4$_2$/\textit{mnm} structure. In contrast to the previously reported electronic systems, the topological phonons observed in SnO$_2$ are not restricted by the Pauli exclusion principle, and they experience negligible spin-orbit coupling effect. Hence, SnO$_2$ with multiple dimensions of degeneracy phonons is a good platform for studying the entanglement among nodal point, line and surface phonons. Moreover, obvious phonon surface states are visible, which is beneficial for experimental detection.

cond-mat.mtrl-sci↗

arXiv2021

Perovskite-type YRh$_{3}$B with multiple types of nodal point and nodal line states

Experimentally synthesized perovskite-type YRh$_{3}$B with a $Pm\bar{3}m$ type structure was proposed as a novel topological material (TM) via first-principles calculations and the low-energy $k\cdot p$ effective Hamiltonian, which has a quadratic contact triple point (QCTP) at point $Γ$ and six pairs of open nodal lines (NLs) of the hybrid type. Clear surface states observed in the surface spectrum confirmed the topological states. When spin-orbit coupling was considered, the QCTP at $Γ$ transferred to the quadratic-type Dirac nodal point (NP). Under 1$\%$ tetragonal strained lattice constants, YRh$_{3}$B hosted richer topological states, including a quadratic-type two-fold degenerate NP, six pairs of open NLs of the hybrid type, and two closed NLs of type I and hybrid type. Moreover, it was proved that the NLs of YRh$_{3}$B at its strained lattice constants contain all types of band-crossing points (BCPs) (i.e., type I, type II, and critical type). Such rich types of NP and NL states in one compound make it potentially applicable for multifunctional electronic devices as well as an appropriate platform to study entanglement among topological states.

cond-mat.mtrl-sci↗

arXiv2021

Coexistence of hourglass Weyl and Dirac nodal line phonons in orthorhombic-type KCuS

In parallel to electronic systems, the concept of topology has been extended to phonons, which has led to the birth of topological phonons. Very recently, nodal point phonons, nodal line phonons, and nodal surface phonons have been proposed, and a handful of candidate materials have been predicted in solid-state materials. In this work, based on symmetry analysis and first-principles calculations, we propose that hourglass Weyl nodal line (HWNL) phonons and Dirac nodal line (DNL) phonons coexist in the phonon dispersion of a single material, KCuS, with a $Pnma$-type structure. The HWNLs and DNLs are relatively flat in frequency and well separated from other phonon bands. The corresponding topological phonon surface states appear only in the [100] and [001] surfaces, unlike those of typical phononic nodal-line materials. The reason for this phenomenon is explained based on Zak phase calculations. Our work, for the first time, proves that phononic nodal lines with different types of degeneracies can be achieved in one single material. Thus, KCuS can be viewed as a good platform to investigate the entanglement between HWNL phonons and DNL phonons.

cond-mat.mtrl-sci↗

arXiv2021

Symmetry-enforced ideal lantern-like phonons in ternary nitride Li$_6$WN$_4$

Condensed matter systems contain both fermionic and bosonic quasiparticles. Owing to the constraint imposed by the Fermi level, ideal material candidate for the emergent particles with higher-dimensional degeneracy manifold (i.e., nodal lines and nodal surfaces) has not been found in electronic systems. This paper demonstrates that according to the first-principle calculations and symmetry analysis, realistic ternary nitride Li$_6$WN$_4$ features ideal (nearly flat) nodal-surface and nodal-line structures in its phonon spectra. These nodal degeneracies are shaped like lanterns, and their existence is guaranteed by nonsymmorphic symmetry. The corresponding topological phonon surface state covers exactly half the surface Brillouin zone (BZ) and can thereby be distinguished from those of conventional nodal-line and nodal-surface semimetals. The results of our study demonstrate the existence of ideal lantern-like phonons in realistic materials, which enriches the classification of topological quantum phases and provides a good basis for investigating the interaction between nodal-line and nodal-surface phonons in a single material.

cond-mat.mtrl-sci↗

arXiv2021

Coexistience of phononic six-fold, four-fold and three-fold excitations in ternary antimonide Zr3Ni3Sb4

Three-, four-, and six-fold excitations have significantly extended the subjects of condensed matter physics. There is an urgent need for a realistic material that can have coexisting 3-, 4-, and 6-fold excitations. However, these materials are uncommon because these excitations in electronic systems are usually broken by spin-orbit coupling (SOC) and normally far from the Fermi level. Unlike the case in electronic systems, the phonon systems with negligible SOC effect, not constrained by the Pauli exclusion principle, provide a feasible platform to realize these excitations in a wide frequency range. Hence, in this work, we demonstrate by first-principle calculations and symmetry analysis that perfect 3-, 4-, 6-fold excitations appear in the phonon dispersion rather than the band structures of Zr3Ni3Sb4, which is a well-known indirect-gap semiconductor with an Y3Au3Sb4-type structure. This material features 3-fold quadratic contact triple-point phonon, 4-fold Dirac point phonon, and 6-fold point phonon. Moreover, these nodal-point phonons are very robust to uniform strain. Two obvious phonon surface arcs of the [001] plane are extended in the whole Brillouin zone, which will facilitate their detection in future experimental studies. The current work provides an ideal model to investigate the rich excitations in a single material.

cond-mat.mtrl-sci↗

arXiv2021

Origins of minimized lattice thermal conductivity and enhanced thermoelectric performance in WS2/WSe2 lateral superlattice

We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the basis of density function theory combined with Boltzmann transport equation, we show that the TE figure of merit zT of monolayer WS2 is remarkably enhanced when forming into a WS2/WSe2 LS crystal. This is primarily ascribed to the almost halved lattice thermal conductivity due to the enhanced anharmonic processes. Electronic transport properties parallel (xx) and perpendicular (yy) to the superlattice period are highly symmetric for both p- and n-doped LS owing to the nearly isotropic lifetime of charger carriers. The spin-orbital effect causes a significant split of conduction band and leads to three-fold degenerate sub-bands and high density of states (DOS), which offers opportunity to obtain the high n-type Seebeck coefficient (S). Interestingly, the separated degenerate sub-bands and upper conduction band in monolayer WS2 form a remarkable stairlike DOS, yielding a higher S. The hole carriers with much higher mobility than electrons reveal the high p-type power factor and the potential to be good p-type TE materials with optimal zT exceeds 1 at 400K in WS2/WSe2 LS.

cond-mat.mtrl-sci↗

arXiv2021

BaPipe: Exploration of Balanced Pipeline Parallelism for DNN Training

The size of deep neural networks (DNNs) grows rapidly as the complexity of the machine learning algorithm increases. To satisfy the requirement of computation and memory of DNN training, distributed deep learning based on model parallelism has been widely recognized. We propose a new pipeline parallelism training framework, BaPipe, which can automatically explore pipeline parallelism training methods and balanced partition strategies for DNN distributed training. In BaPipe, each accelerator calculates the forward propagation and backward propagation of different parts of networks to implement the intra-batch pipeline parallelism strategy. BaPipe uses a new load balancing automatic exploration strategy that considers the parameters of DNN models and the computation, memory, and communication resources of accelerator clusters. We have trained different DNNs such as VGG-16, ResNet-50, and GNMT on GPU clusters and simulated the performance of different FPGA clusters. Compared with state-of-the-art data parallelism and pipeline parallelism frameworks, BaPipe provides up to 3.2x speedup and 4x memory reduction in various platforms.

cs.DC↗

arXiv2021

Intersecting topological nodal ring and nodal wall states in superhard superconductor FeB4

Novel materials with both topological nontrivial states and superconductivity have attracted considerable attention in recent years. Single-crystal FeB4 was recently synthesized and demonstrated to exhibit superconductivity at temperatures lower than 2.9 K, and its nanoindentation hardness was measured to be 65 GPa. In this study, based on first-principles calculation and the low-energy kp effective Hamiltonian, we found that this Pnnm-type superhard FeB4 superconductor hosts topological behaviors with intersecting nodal rings (INRs) in the k_x=0 and k_z=0 planes and nodal wall states in the k_y= π and k_z= π planes. The observed surface drum-head-like (D-H-L) states on the [100] and [001] surfaces confirmed the presence of INR states in this system. According to our investigation results, FeB4, with its superconductivity, superior mechanical behaviors, one-dimensional (1D) and two-dimensional topological elements, and D-H-L surface states, is an existing single-phase target material that can be used to realize the topological superconducting state in the near future.

cond-mat.mtrl-sci↗

arXiv2019

Spin-Layer- and Spin-Valley-Locking in CVD-Grown AA'- and AB-Stacked Tungsten-Disulfide Bilayers

Valley-selective optical selection rules and a spin-valley locking in transition-metal dichalcogenide (TMDC) monolayers are at the heart of "valleytronic physics", which exploits the valley degree of freedom and has been a major research topic in recent years. In contrast, valleytronic properties of TMDC bilayers have not been in the focus so much by now. Here, we report on the valleytronic properties and optical characterization of bilayers of WS2 as a representative TMDC material. In particular, we study the influence of the relative layer alignment in TMDC homo-bilayer samples on their polarization-dependent optical properties. Therefore, CVD-grown WS2 bilayer samples have been prepared that favor either the inversion symmetric AA' stacking or AB stacking without inversion symmetry during synthesis. Subsequently, a detailed analysis of reflection contrast and photoluminescence spectra under different polarization conditions has been performed. We observe circular and linear dichroism of the photoluminescence that is more pronounced for the AB stacking configuration. Our experimental findings are supported by theoretical calculations showing that the observed dichroism can be linked to optical selection rules, that maintain the spin-valley locking in the AB-stacked WS2 bilayer, whereas a spin-layer-locking is present the inversion symmetric AA' bilayer instead. Furthermore, our theoretical calculations predict a small relative shift of the excitonic resonances in both stacking configurations, which is also experimentally observed.

cond-mat.mes-hall↗

arXiv2018

The Toybox Dataset of Egocentric Visual Object Transformations

In object recognition research, many commonly used datasets (e.g., ImageNet and similar) contain relatively sparse distributions of object instances and views, e.g., one might see a thousand different pictures of a thousand different giraffes, mostly taken from a few conventionally photographed angles. These distributional properties constrain the types of computational experiments that are able to be conducted with such datasets, and also do not reflect naturalistic patterns of embodied visual experience. As a contribution to the small (but growing) number of multi-view object datasets that have been created to bridge this gap, we introduce a new video dataset called Toybox that contains egocentric (i.e., first-person perspective) videos of common household objects and toys being manually manipulated to undergo structured transformations, such as rotation, translation, and zooming. To illustrate potential uses of Toybox, we also present initial neural network experiments that examine 1) how training on different distributions of object instances and views affects recognition performance, and 2) how viewpoint-dependent object concepts are represented within the hidden layers of a trained network.

cs.CV↗

arXiv2015

The Improved Job Scheduling Algorithm of Hadoop Platform

This paper discussed some job scheduling algorithms for Hadoop platform, and proposed a jobs scheduling optimization algorithm based on Bayes Classification viewing the shortcoming of those algorithms which are used. The proposed algorithm can be summarized as follows. In the scheduling algorithm based on Bayes Classification, the jobs in job queue will be classified into bad job and good job by Bayes Classification, when JobTracker gets task request, it will select a good job from job queue, and select tasks from good job to allocate JobTracker, then the execution result will feedback to the JobTracker. Therefore the scheduling algorithm based on Bayes Classification influence the job classification via learning the result of feedback with the JobTracker will select the most appropriate job to execute on TaskTracker every time. We need to consider the feature usage of job resource and the influence of TaskTracker resource on task execution, the former of which we call it job feature, for instance, the average usage rate of CPU and average usage rate of memory, the latter node feature, such as the usage rate of CPU and the size of idle physical memory, the two are called feature variables. Results show that it has a significant improvement in execution efficiency and stability of job scheduling.

cs.DC↗