arXiv subjects

Tiantian Zhang

Publications and source records attributed to Tiantian Zhang.

At least 91 records · Page 5Linked to original sources

arXiv2021

General corner charge formula in two-dimensional C_n-symmetric higher-order topological insulators

In this paper, we derive a general formula for the quantized fractional corner charge in two-dimensional C_n-symmetric higher-order topological insulators. We assume that the electronic states can be described by the Wannier functions and that the edges are charge neutral, but we do not assume vanishing bulk electric polarization. We expand the scope of the corner charge formula obtained in previous works by considering more general surface conditions, such as surfaces with higher Miller index and surfaces with surface reconstruction. Our theory is applicable even when the electronic states are largely modulated near system boundaries. It also applies to insulators with non-vanishing bulk polarization, and we find that in such cases the value of the corner charge depends on the surface termination even for the same bulk crystal with C_3 or C_4 symmetry, via a difference in the Wyckoff position of the center of the C_n-symmetric crystal.

cond-mat.mes-hall↗

arXiv2021

Crystal and Electronic Structure of GaTa$_4$Se$_8$ From First-Principle Calculations

GaTa$_4$Se$_8$ belongs to the lacunar spinel family. Its crystal structures is still a puzzle though there have been intensive studies on its novel properties, such as the Mott insulator phase and superconductivity under pressure. In this work, we investigate its phonon spectra through first-principle calculations and proposed it most probably has crystal structure phase transition, which is consistent with several experimental observations. For the prototype lacunar spinel with cubic symmetry of space group $F\bar{4}3m$, its phonon spectra have three soft modes in the whole Brillouin zone, indicating the strong dynamical instability of such crystal structure. In order to find the dynamically stable crystal structure, further calculations indicate two new structures of GaTa$_4$Se$_8$, corresponding to $R3m$ and $P\bar{4}2_{1}m$, verifying that at the ambient pressure, there does exist structure phase transition of GaTa$_4$Se$_8$ from $F\bar{4}3m$ to other structures when the temperature is lowered. We also performed electronic structure calculation for $R3m$ and $P\bar{4}2_{1}m$ structure, showing that $P\bar{4}2_{1}m$ structure GaTa$_4$Se$_8$ is band insulator, and obtained Mott insulator state for $R3m$ structure by DMFT calculation under single-band Hubbard model picture when interaction parameter U is larger than 0.40 eV vs. band width of 0.25 eV. It is reasonable to assume that while lowering the temperature, $F\bar{4}3m$ structure GaTa$_4$Se$_8$ becomes $R3m$ structure GaTa$_4$Se$_8$ first, then $P\bar{4}2_{1}m$ structure GaTa$_4$Se$_8$, because of the symmetry of $P\bar{4}2_{1}m$ is lower than $R3m$ after Jahn-Teller distortion. The structure transition may explain the magnetic susceptibility anomalous at low temperature.

cond-mat.mtrl-sci↗

arXiv2020

Theory of inversion-$\mathbb{Z}_{4}$ protected topological chiral hinge states and its applications to layered antiferromagnets

We study positions of chiral hinge states in higher-order topological insulators (HOTIs) with inversion symmetry. First, we exhaust all possible configurations of the hinge states in the HOTIs in all type-I magnetic space groups with inversion symmetry by studying dependence of the sign of the surface Dirac mass on surface orientations. In particular, in the presence of glide symmetry, for particular surface orientations, the surface Dirac mass changes sign by changing the surface terminations. By applying this result to a layered antiferromagnet (AFM), we find a difference in the hinge states between the cases with an even and odd number of layers. In the case of an even number of layers, which does not preserve inversion symmetry, positions of hinge states are not inversion symmetric. Nonetheless, these inversion-asymmetric hinge states result from the bulk topology. We show that their inversion-asymmetric configurations are uniquely determined from the symmetries and the topological invariant.

cond-mat.mes-hall↗

arXiv2020

Topological phonons in oxide perovskites controlled by light

Perovskite oxides exhibit a rich variety of structural phases hosting different physical phenomena that generate multiple technological applications. We find that topological phonons, i.e., nodal rings, nodal lines, and Weyl points, are ubiquitous in oxide perovskites in terms of structures (tetragonal, orthorhombic, and rhombohedral), compounds (BaTiO3, PbTiO3, and SrTiO3), and external conditions (photoexcitation, strain, and temperature). In particular, in the tetragonal phase of these compounds, all types of topological phonons can simultaneously emerge when stabilized by photoexcitation, whereas the tetragonal phase stabilized by thermal fluctuations only hosts a more limited set of topological phonon states. Additionally, we find that the photoexcited carrier concentration can be used to tune the topological phonon states and induce topological transitions even without associated structural phase changes. Overall, we propose oxide perovskites as a versatile platform in which to study topological phonons and their manipulation with light.

cond-mat.mtrl-sci↗

arXiv2020

Observation of a Chiral Wave Function in Twofold Degenerate Quadruple Weyl System BaPtGe

Topological states in quantum materials are defined by non-trivial topological invariants, such as the Chern number, which are properties of their bulk wave functions. A remarkable consequence of topological wave functions is the emergence of edge modes, a phenomenon known as bulk-edge correspondence, that gives rise to quantized or chiral physical properties. While edge modes are widely presented as signatures of non-trivial topology, how bulk wave functions can manifest explicitly topological properties remains unresolved. Here, using high-resolution inelastic x-ray spectroscopy (IXS) combined with first principles calculations, we report experimental signatures of chiral wave functions in the bulk phonon spectrum of BaPtGe, which we show to host a previously undiscovered twofold degenerate quadruple Weyl node. The chirality of the degenerate phononic wave function yields a non-trivial phonon dynamical structure factor, S(Q,$ω$), along high-symmetry directions, that is in excellent agreement with numerical and model calculations. Our results establish IXS as a powerful tool to uncover topological wave functions, providing a key missing ingredient in the study of topological quantum matter.

cond-mat.mtrl-sci↗

arXiv2020

Twofold quadruple Weyl nodes in chiral cubic crystals

Conventional Weyl nodes are twofold band crossings that carry a unit monopole charge, which can exist in condensed matter systems with the protection of translation symmetry. Unconventional Weyl nodes are twofold/multifold band crossings carrying a quantized monopole charge larger than one, and their existence needs the protection of additional crystalline symmetries. Studies on unconventional Weyl nodes are already very comprehensive, such as twofold Weyl nodes with Chern number of C=2/C=3 and fourfold/sixfoldWeyl nodes with C=4. Yet in this paper, we propose a newfound twofold unconventional Weyl node with C=4, which can exist in any chiral cubic systems with integer spin. Such kind of twofold quadruple Weyl node has a cubic band dispersion along [111] direction and will evolve into a fourfold quadruple Weyl node after considering spin-orbit coupling. In this paper, we exhaust all the possible chiral cubic space groups and corresponding k-points, which can have twofold quadruple Weyl nodes. We also propose a series of LaIrSi-type materials that both have twofold quadruple Weyl nodes in electronic systems and the phonon spectra.

cond-mat.mtrl-sci↗

arXiv2020

Quasiparticle Interference Evidence of the Topological Fermi Arc States in Chiral Fermionic Semimetal CoSi

Chiral fermions in solid state feature "Fermi arc" states, connecting the surface projections of the bulk chiral nodes. The surface Fermi arc is a signature of nontrivial bulk topology. Unconventional chiral fermions with an extensive Fermi arc traversing the whole Brillouin zone have been theoretically proposed in CoSi. Here, we use scanning tunneling microscopy / spectroscopy to investigate quasiparticle interference at various terminations of a CoSi single crystal. The observed surface states exhibit chiral fermion-originated characteristics. These reside on (001) and (011) but not (111) surfaces with pi-rotation symmetry, spiral with energy, and disperse in a wide energy range from ~-200 to ~+400 mV. Owing to the high-energy and high-space resolution, a spin-orbit coupling-induced splitting of up to ~80 mV is identified. Our observations are corroborated by density functional theory and provide strong evidence that CoSi hosts the unconventional chiral fermions and the extensive Fermi arc states.

cond-mat.mtrl-sci↗

arXiv2019

Electron-phonon Coupling and Kohn Anomaly due to the Floating 2D Electronic Bands on the Surface of ZrSiS

ZrSiS, an intriguing candidate of topological nodal line semimetals, was discovered to have exotic surface floating two-dimensional (2D) electrons [Phys. Rev. X 7, 041073 (2017)], which are likely to interact with surface phonons. Here, we reveal a prominent Kohn anomaly in a surface phonon branch by mapping out the surface phonon dispersions of ZrSiS using high-resolution electron energy loss spectroscopy. Theoretical analysis via an electron-phonon coupling (EPC) model attributes the strong renormalization of the surface phonon branch to the interactions with the surface floating 2D electrons. With the random phase approximation, we calculate the phonon self-energy and evaluate the mode-specific EPC constant by fitting the experimental data. The EPC picture provided here may be important for potential applications of topological nodal line semimetals.

cond-mat.mtrl-sci↗

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

A Critical Note on the Evaluation of Clustering Algorithms

Experimental evaluation is a major research methodology for investigating clustering algorithms and many other machine learning algorithms. For this purpose, a number of benchmark datasets have been widely used in the literature and their quality plays a key role on the value of the research work. However, in most of the existing studies, little attention has been paid to the properties of the datasets and they are often regarded as black-box problems. For example, it is common to use datasets intended for classification in clustering research and assume class la-bels as the ground truth for judging the quality of cluster-ing. In our work, with the help of advanced visualization and dimension reduction techniques, we show that this practice may seriously compromise the research quality and produce misleading results. We suggest that the applicability of existing benchmark datasets should be carefully revisited and significant efforts need to be devoted to improving the current practice of experimental evaluation of clustering algorithms to ensure an essential match between algorithms and problems.

cs.LG↗

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

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↗

arXiv2018

Chaotic few-body vortex dynamics in rotating Bose--Einstein condensates

We investigate a small vortex-lattice system of four co-rotating vortices in an atomic Bose--Einstein condensate and find that the vortex dynamics display chaotic behaviour after a system quench introduced by reversing the direction of circulation of a single vortex through a phase-imprinting process. By tracking the vortex trajectories and Lyapunov exponent, we show the onset of chaotic dynamics is not immediate, but occurs at later times and is accelerated by the close-approach and separation of all vortices in a scattering event. The techniques we develop could potentially be applied to create locally induced chaotic dynamics in larger lattice systems as a stepping stone to study the role of chaotic events in turbulent vortex dynamics.

cond-mat.quant-gas↗

arXiv2018

Quantitative mappings between symmetry and topology in solids

The study of spatial symmetries was accomplished during the last century, and had greatly improved our understanding of the properties of solids. Nowadays, the symmetry data of any crystal can be readily extracted from standard first-principles calculation. On the other hand, the topological data (topological invariants), the defining quantities of nontrivial topological states, are in general considerably difficult to obtain, and this difficulty has critically slowed down the search for topological materials. Here, we provide explicit and exhaustive mappings from symmetry data to topological data for arbitrary gapped band structure in the presence of time-reversal symmetry and any one of the 230 space groups. The mappings are completed using the theoretical tools of layer construction and symmetry-based indicators. With these results, finding topological invariants in any given gapped band structure reduces to a simple search in the mapping tables provided.

cond-mat.mes-hall↗

arXiv2018

Diagnosis for topological semimetals in the absence of spin-orbital coupling

Topological semimetals are under intensive theoretical and experimental studies. The first step of these studies is always the theoretical (numerical) predication of one of several candidate materials, starting from first principles. In these calculations, it is crucial that all topological band crossings, including their types and positions in the Brillouin zone, are found. While band crossings along high-symmetry lines, which are routinely scanned in numerics, are simple to locate, the ones at generic momenta are notoriously time-consuming to find, and may be easily missed. In this paper, we establish a theoretical scheme of diagnosis for topological semimetals where all band crossings are at generic momenta in systems with time-reversal symmetry and negligible spin-orbital coupling. The scheme only uses the symmetry (inversion and rotation) eigenvalues of the valence bands at high-symmetry points in the BZ as input, and provides the types, numbers and configurations of all topological band crossings, if any, at generic momenta. The nature of new diagnosis scheme allows for full automation and parallelizations, and paves way to high throughput numerical predictions of topological materials.

cond-mat.mes-hall↗

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↗

arXiv2017

Observation of bulk nodal lines in topological semimetal ZrSiS

ZrSiS is the most intensively studied topological nodal-line semimetal candidate, which is proposed to host multiple nodal lines in its bulk electronic structure. However, previous angle-resolved photoemission spectroscopy (ARPES) experiments with vacuum ultraviolet lights mainly probed the surface states. Here using bulk-sensitive soft X-ray ARPES, we acquire the bulk electronic states of ZrSiS without any interference from surface states. Our results clearly show two groups of three-dimensional bulk nodal lines located on high-symmetry planes and along high-symmetry lines in the bulk Brillouin zone, respectively. The nodal lines on high-symmetry planes are enforced to pin at the Fermi level by carrier compensation and constitute the whole Fermi surfaces. This means that the carriers in ZrSiS are entirely contributed by nodal-line fermions, suggesting that ZrSiS is a remarkable platform for studying physical properties related to nodal lines.

cond-mat.mtrl-sci↗

arXiv2017

Valley polarization generated in 3-dimensional group-IV monochalcogenids

Valleytronics is one of the breaking-through to the technology of electronics, which provides a new degree of freedom to manipulate the properties of electrons. Combining DFT calculations, optical absorption analysis and the linear polarization-resolved transmission measurement together, we report that three pairs of valleys, which feature opposite optical absorption, existing in the 3-dimensional (3D) group-IV monochalcogenids. By applying the linearly-polarized light, valley polarization is successfully generated for the first time in a 3D system, which opens a new direction for the exploration of the valley materials and provides a good platform for the photodetector and valleytronic devices. Valley modulation versus the in-plane strain in GeSe is also studied, suggesting an effective way to get the optimized valleytronic properties.

cond-mat.mtrl-sci↗