arXiv subjects

Hongming Weng

Publications and source records attributed to Hongming Weng.

At least 145 records · Page 8Linked to original sources

arXiv2019

Topological Electronic States in HfRuP Family Superconductors

Based on the first-principles calculations and experimental measurements, we report that the hexagonal phase of ternary transition metal pnictides TT'X (T=Zr, Hf; T'=Ru; X=P, As), which are well-known noncentrosymmetric superconductors with relatively high transition temperatures, host nontrivial bulk topology. Before the superconducting phase transition, we find that HfRuP belongs to a Weyl semimetal phase with 12 pairs of type-II Weyl points, while ZrRuAs, ZrRuP and HfRuAs belong to a topological crystalline insulating phase with trivial Fu-Kane $\mathbb Z_2$ indices but $nontrivial$ mirror Chern numbers. High-quality single crystal samples of the noncentrosymmetric superconductors with these two different topological states have been obtained and the superconductivity is verified experimentally. The wide-range band structures of ZrRuAs have been identified by ARPES and reproduced by theoretical calculations. Combined with intrinsic superconductivity, the nontrivial topology of the normal state may generate unconventional superconductivity in both bulk and surfaces. Our findings could largely inspire the experimental searching for possible topological superconductivity in these compounds.

cond-mat.mtrl-sci↗

arXiv2019

Quantum oscillations and electronic structures in large Chern number semimetal RhSn

We report the magnetoresistance, Hall effect, de Haas-van Alphen (dHvA) oscillations and the electronic structures of single crystal RhSn, which is a typical material of CoSi family holding a large Chern number. The large unsaturated magnetoresistance is observed with B//[001]. The Hall resistivity curve indicates that RhSn is a multi-band system with high mobility. Evident quantum oscillations have been observed, from which the light effective masses are extracted. Ten fundamental frequencies are extracted after the fast Fourier transform analysis of the dHvA oscillations with B//[001] configuration. The two low frequencies F$_1$ and F$_2$ do not change obviously and the two high frequencies F$_9$ and F$_{10}$ evolve into four when B rotates from B//[001] to B//[110], which is consistent with the band structure in the first-principles calculations with spin-orbit coupling (SOC). The extracted Berry phases of the relative pockets show a good agreement with the Chern number $\pm4$ (with SOC) in the first-principles calculations. Above all, our studies indicate that RhSn is an ideal platform to study the unconventional chiral fermions and the surface states.

cond-mat.mes-hall↗

arXiv2019

A diagnosis scheme for topological degeneracies at high-symmetry momenta

Theories of symmetry-based indicators and topological quantum chemistry, while powerful in diagnosing gapped topological materials, cannot be directly applied to diagnosing band degeneracies at high-symmetry momenta due to the violation of the compatibility conditions. Here we design a recursive protocol that utilizes indicators of maximal subgroups to infer the topological nature of band degeneracies at high-symmetry lines. For demonstration, the method is used to predict the existence of iso-energy Weyl points and a node-line cage, respectively, in the phonon bands of In2Te and ZrSiO.

cond-mat.mtrl-sci↗

arXiv2019

Topological metals induced by Zeeman effect

In the present paper, we propose a new way to classify centrosymmetric metals by studying the Zeeman effect caused by an external magnetic field described by the momentum dependent g-factor tensor on the Fermi surfaces. Nontrivial U(1) Berry's phase and curvature can be generated once the otherwise degenerate Fermi surfaces are splitted by the Zeeman effect, which will be determined by both the intrinsic band structure and the structure of g-factor tensor on the manifold of the Fermi surfaces. Such Zeeman effect generated Berry's phase and curvature can lead to three important experimental effects, modification of spin-zero effect, Zeeman effect induced Fermi surface Chern number and the in-plane anomalous Hall effect. By first principle calculations, we study all these effects on two typical material, ZrTe$_5$ and TaAs$_2$ and the results are in good agreement with the existing experiments.

cond-mat.mes-hall↗

arXiv2019

Temperature-induced band shift in ferromagnetic Weyl semimetal Co3Sn2S2

The discovery of nonmagnetic Weyl semimetals (WSMs) in TaAs compounds has triggered lots of efforts in finding its magnetic counterpart. While the direct observation of the Weyl nodes and Fermi arcs in a magnetic candidate through angle-resolved photoemission spectroscopy is hindered by the complex magnetic domains. The transport features of magnetic WSMs, including negative magnetoresistivity and anomalous Hall conductivity, are not conclusive since these are sensitive to extrinsic factors like defects and disorders in lattice or magnetic ordering. Here, we systematically study the temperature-dependent optical spectra of ferromagnetic Co$_3$Sn$_2$S$_2$ experimentally and simulated by first-principles calculations. The many-body correlation effect due to Co $3d$ electrons leads to the renormalization of bands by a factor about 1.33, which is moderate and the description within density functional theory is suitable. As the temperature drops down, the magnetic phase transition happens and the magnetization drives the band shift through exchange splitting. The optical spectra can well detect these changes, including the transitions sensitive and insensitive to the magnetization, and those from the bands around the Weyl nodes. The results strongly support that Co$_3$Sn$_2$S$_2$ is a magnetic WSM and the Weyl nodes can be tuned by magnetization with temperature change.

cond-mat.supr-con↗

arXiv2019

Topological Crystalline Insulators with $C_2$ Rotation Anomaly

Based on first-principles calculations and symmetry-based indicator analysis, we find a class of topological crystalline insulators (TCIs) with $C_2$ rotation anomaly in a family of Zintl compounds, including $\mathrm{Ba}_{3}\mathrm{Cd}_{2}\mathrm{As}_{4}$, $\mathrm{Ba}_{3}\mathrm{Zn}_{2}\mathrm{As}_{4}$ and $\mathrm{Ba}_{3}\mathrm{Cd}_{2}\mathrm{Sb}_{4}$. The nontrivial band topology protected by coexistence of $C_2$ rotation symmetry and time-reversal symmetry $T$ leads to two surface Dirac cones at generic momenta on both top and bottom surfaces perpendicular to the rotation axis. In addition, ($d-2$)-dimensional helical hinge states are also protected along the hinge formed by two side surfaces parallel with the rotation axis. We develop a method based on Wilson loop technique to prove the existence of these surface Dirac cones due to $C_2$ anomaly and precisely locate them as demonstrated in studying these TCIs. The helical hinge states are also calculated. Finally, we show that external strain can be used to tune topological phase transitions among TCIs, strong Z$_2$ topological insulators and trivial insulators.

cond-mat.mtrl-sci↗

arXiv2019

Magnetic semimetals and quantized anomalous Hall effect in EuB6

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

cond-mat.mtrl-sci↗

arXiv2019

Topological nodal lines and hybrid Weyl nodes in YCoC$_2$

Based on first-principles calculations and effective model analysis, we propose that the noncentrosymmetric superconductor YCoC$_2$ in normal state is a topological semimetal. In the absence of spin-orbit coupling (SOC), it can host two intersecting nodal rings protected by two mirror planes, respectively. One ring is composed of type-I nodes, where the two crossing bands have opposite slop sign in their dispersions. The other ring consists of both type-I and type-II nodes (the slop signs of the two bands are the same in certain direction). In the presence of SOC, the former nodal ring is gapped totally while the later one evolves into ten pairs of Weyl nodes, with two of them being type-I and eight being type-II. The type-II Weyl nodes are further classified into two kinds with different velocity matrix when described in Weyl equation near the nodes. Fermi arcs from topological surface states are observed in the surface projected energy dispersions. It is notably that YCoC$_2$ has been reported as a superconductor with critical temperature $T_c$ of 4.2 K. This makes it very attractive since including superconducting into topological semimetal state might result in topological superconductivity and be used to synthesize Majorana zero modes.

cond-mat.mtrl-sci↗

arXiv2019

Higher-order Topology of Axion Insulator EuIn$_2$As$_2$

Based on first-principles calculations and symmetry analysis, we propose that EuIn$_2$As$_2$ is a long awaited axion insulator with antiferromagnetic (AFM) long range order. Characterized by the parity-based invariant $\mathbb Z_4=2$, the topological magneto-electric effect is quantized with $θ=π$ in the bulk, with a band gap as large as 0.1 eV. When the staggered magnetic moment of the AFM phase is along $a/b$ axis, it's also a TCI phase. Gapless surface states emerge on (100), (010) and (001) surfaces, protected by mirror symmetries (nonzero mirror Chern numbers). When the magnetic moment is along $c$ axis, the (100) and (001) surfaces are gapped. As a consequence of a high-order topological insulator with $\mathbb Z_4=2$, the one-dimensional (1D) chiral state can exist on the hinge between those gapped surfaces. We have calculated both the topological surface states and hinge state in different phases of the system, respectively, which can be detected by ARPES or STM experiments.

cond-mat.mtrl-sci↗

arXiv2019

Predicting Dirac semimetals based on Sodium Ternary Compounds

Predicting a new Dirac semimetal (DSM), as well as other topological materials, is quite challenging, since the relationship between crystal structure, composing atoms and the band topology is complex and elusive. Here, we demonstrate an approach to design DSMs via exploring the chemical degree of freedom. Based on the understanding of the well-known DSM Na$_3$Bi, three compounds in one family, namely Na$_2$MgSn, Na$_2$MgPb and Na$_2$CdSn, have been exactly located. Further hybrid-functional calculations with improved estimation of band inversion show that two of them, Na$_2$MgPb and Na$_2$CdSn, have band topology of DSMs. The nontrivial surface states with Fermi arcs on the (010) and (100) side surfaces are shown to connect the projection of bulk Dirac nodes. Most importantly, the candidate compounds are dynamically stable and have been experimentally synthesized. The ideas in this work would stimulate more designs on locating topological materials based on the understanding of existing ones.

cond-mat.mtrl-sci↗

arXiv2019

Topological nodal-line semimetals in ferromagnetic rare-earth-metal monohalides

Topological semimetals, extending the topological classification from insulators to metals, have greatly enriched our understanding of topological states in condensed matter. This is particularly true for topological nodal-line semimetals (TNLSs). In the present paper, we identify layered materials as promising candidates for hosting TNLSs. Based on first-principles calculations and effective model analysis, we propose that layered ferromagnetic rare-earth-metal monohalides LnX (Ln=La, Gd; X=Cl, Br) exhibit long pursued topological phases. Specifically, single-layer LaX and single-layer GdX are ideal two-dimensional (2D) Weyl semimetals and large-gap 2D quantum anomalous Hall insulators (QAHIs), with band gaps up to 61 meV, respectively. In addition, 3D LaX and 3D GdX are TNLSs with a pair of mirror-symmetry protected nodal lines and 3D weak QAHIs, respectively. The nodal lines in 3D LaX extending through the whole Brillouin zone (BZ) are fairly robust against strong spin-orbit coupling (SOC) and located close to the Fermi level, providing a novel platform toward exploring the exotic properties in nodal-line fermions as well as related device designs.

cond-mat.mtrl-sci↗

arXiv2018

Two-dimensional spin-valley-coupled Dirac semimetals in functionalized SbAs monolayers

In the presence of spin-orbit coupling (SOC), achieving both spin and valley polarized Dirac state is significant to promote the fantastic integration of Dirac physics, spintronics and valleytronics. Based on ab initio calculations, here we demonstrate that a class of spin-valley-coupled Dirac semimetals (svc-DSMs) in the functionalized SbAs monolayers (MLs) can host such desired state. Distinguished from the graphene-like 2D Dirac materials, the Dirac cones in svc-DSMs hold giant spin-splitting induced by strong SOC under inversion symmetry breaking. In the 2.3% strained SbAsH2 ML, the Dirac fermions in inequivalent valleys have opposite Berry curvature and spin moment, giving rise to Dirac spin-valley Hall effect with constant spin Hall conductivity as well as massless and dissipationless transport. Topological analysis reveals that the svc-DSM emerges at the boundary between trivial and 2D topological insulators, which provides a promising platform for realizing the flexible and controllable tuning among different quantum states.

physics.comp-ph↗

arXiv2018

Catalogue of Topological Electronic Materials

Topological electronic materials are new quantum states of matter hosting novel linear responses in the bulk and anomalous gapless states at the boundary, and are for scientific and applied reasons under intensive research in physics and in materials sciences. The detection for such materials has so far been hindered by the level of complication involved in the calculation of the so-called topological invariants, and is hence considered a specialized task that requires both experience with materials and expertise with advanced theoretical tools. Here we introduce an effective, efficient and fully automated algorithm in obtaining the topological invariants for all non-magnetic materials that are known to human, based on recently developed principles that allow for exhaustive mappings between the symmetry representation of occupied bands and the topological invariants. Our algorithm requires as input only the occupied-band information (energy and wavefunction) at a handful (up to eight) of high-symmetry points in the Brillouin zone, which is readily calculable with any first-principles software. In return, it is capable of providing a detailed topological classification of all non-magnetic materials. Equipped with this method we have scanned through a total of 39519 materials available in structural databases, and found that as many as 8056 of them are actually topological (8889 if spin-orbital coupling is neglected). These are further catalogued into classes of 5005 topological semimetals,1814 topological insulators and 1237 topological crystalline insulators, most of which are new to human knowledge. All the results are available and searchable at http://materiae.iphy.ac.cn/ .

cond-mat.mtrl-sci↗

arXiv2018

Exotic Node Line in ternary MgSrSi-type crystals

Node line (NL) band-touchings protected by mirror symmetry (named as $m$-NL), the product of inversion and time reversal symmetry $\mathcal{S=PT}$ ($s$-NL), or nonsymmorphic symmetry are nontrivial topological objects of topological semimetals (SMs) in the Brillouin Zone (BZ). In this work, we screened the family of MgSrSi-type crystals using first principles calculations, and discovered that more than 70 members are NLSMs. A new type of multi-loop structure was found in AsRhTi that a $s$-NL touches robustly with a $m$-NL at some "nexus point", and in the meanwhile a second $m$-NL crosses with the $s$-NL to form a Hopf-link. Unlike the previously proposed Hopf-link formed by two $s$-NLs or two $m$-NLs, a Hopf-link formed by a $s$-NL and a $m$-NL requires a minimal three-band model to characterize its essential electronic structure. The associated topological surface states on different surfaces of AsRhTi crystal were also obtained. Even more complicated and exotic multi-loop structure of NLs were predicted in AsFeNa and PNiNb. Our work may shed light on search for exotic multi-loop NLSMs in real materials.

cond-mat.mtrl-sci↗

arXiv2018

Symmetry Enforced Chiral Hinge States and Surface Quantum Anomalous Hall Effect in Magnetic Axion Insulator $\text{Bi}_{2-x}\text{Sm}_x\text{Se}_3$

A universal mechanism to generate chiral hinge states in the ferromagnetic axion insulator phase is proposed, which leads to an exotic transport phenomena, the quantum anomalous Hall effect (QAHE) on some particular surfaces determined by both the crystalline symmetry and the magnetization direction. A realistic material system Sm doped $\text{Bi}_2\text{Se}_3$ is then proposed to realize such exotic hinge states by combing the first principle calculations and the Green's function techniques. A physically accessible way to manipulate the surface QAHE is also proposed, which makes it very different from the QAHE in ordinary 2D systems.

cond-mat.mes-hall↗

arXiv2018

Topological nodal states in circuit lattice

The search for artificial structure with tunable topological properties is an interesting research direction of today's topological physics. Here, we introduce a scheme to realize `topological semimetal states' with a three-dimensional periodic inductor-capacitor (LC) circuit lattice, where the topological nodal-line state and Weyl state can be achieved by tuning the parameters of inductors and capacitors. A tight-binding-like model is derived to analyze the topological properties of the LC circuit lattice. The key characters of the topological states, such as the drumhead-like surface bands for nodal-line state and the Fermi-arc-like surface bands for Weyl state, are found in these systems. We also show that the Weyl points are stable with the fabrication errors of electric devices.

cond-mat.mes-hall↗

arXiv2017

Large intrinsic anomalous Hall effect in half-metallic ferromagnet Co3Sn2S2 with magnetic Weyl fermions

The origin of anomalous Hall effect (AHE) in magnetic materials is one of the most intriguing aspect in condensed matter physics and has been controversial for a long time. Recent studies indicate that the intrinsic AHE is closely related to the Berry curvature of occupied electronic states. In a magnetic Weyl semimetal with broken time-reversal symmetry, there are significant contributions on Berry curvature around Weyl nodes, which would lead to a large intrinsic AHE. Here, we report the large intrinsic AHE in the half-metallic ferromagnet Co3Sn2S2 single crystal. By systematically mapping out the electronic structure of Co3Sn2S2 theoretically and experimentally, the large intrinsic AHE should originate from the Weyl fermions near the Fermi energy. Furthermore, the intrinsic anomalous Hall conductivity depends linearly on the magnetization and this can be attributed to the sharp decrease of magnetization and the change of topological characteristics.

cond-mat.str-el↗

arXiv2017

Realization of low-energy Dirac fermions in (Ir$_{1-x}$Pt$_x$)Te$_2$ superconductors

Superconducting and topological states are two distinct quantum states of matter. Superconductors with topologically nontrivial electronic states provide a platform to study the interplay between them. Recent study revealed that a bulk superconductor PdTe2 is a topological Dirac semimetal with type-II Dirac fermions. However, the Dirac fermions in PdTe2 have no contribution to the superconducting pair because the Dirac points reside far below the Fermi level (EF). Here, we show that in the isostructural compounds (Ir1-xPtx)Te2, the type-II Dirac points can be adjusted to EF by element substitution at x ~ 0.1, for which the bulk superconductivity appears near 2 K. The (Ir1-xPtx)Te2 superconductor with the Dirac points at EF paves the way for studying the relevant exotic physical phenomena such as topological superconductivity in Dirac semimetals.

cond-mat.mtrl-sci↗