arXiv subjects

Qihang Liu

Publications and source records attributed to Qihang Liu.

At least 55 records · Page 3Linked to original sources

arXiv2023

Chiral charge density wave and backscattering-immune orbital texture in monolayer 1T-TiTe2

Non-trivial electronic states are attracting intense attention in low-dimensional physics. Though chirality has been identified in charge states with a scalar order parameter, its intertwining with charge density waves (CDW), film thickness and the impact on the electronic behaviors remain less well understood. Here, using scanning tunneling microscopy, we report a 2 x 2 chiral CDW as well as a strong suppression of the Te-5p hole-band backscattering in monolayer 1T-TiTe2. These exotic characters vanish in bilayer TiTe2 with a non-CDW state. Theoretical calculations approve that chirality comes from a helical stacking of the triple-q CDW components and therefore can persist at the two-dimensional limit. Furthermore, the chirality renders the Te-5p bands an unconventional orbital texture that prohibits electron backscattering. Our study establishes TiTe2 as a promising playground for manipulating the chiral ground states at the monolayer limit and provides a novel path to engineer electronic properties from an orbital degree.

cond-mat.mtrl-sci↗

arXiv2023

Spectroscopic signature of obstructed surface states in SrIn$_2$P$_2$

The century-long development of surface sciences has witnessed the discoveries of a variety of quantum states. In the recently proposed "obstructed atomic insulators", insulators with symmetric charges pinned at virtual sites where no real atoms reside, the cleavage through these sites could lead to a set of obstructed surface states with partial occupation. Here, utilizing scanning tunneling microscopy, angle-resolved photoemission spectroscopy and first-principles calculations, we observe spectroscopic signature of obstructed surface states in SrIn$_2$P$_2$. We find a pair of surface states originated from the pristine obstructed surface states split by a unique surface reconstruction. The upper branch is marked with a striking differential conductance peak followed by negative differential conductance, signaling its localized nature, while the lower branch is found to be highly dispersive. This pair of surface states is in consistency with our calculational results. Our finding not only demonstrates a surface quantum state induced by a new type of bulk-boundary correspondence, but also provides a platform for exploring efficient catalysts and related surface engineering.

cond-mat.mtrl-sci↗

arXiv2022

Rational design of large anomalous Nernst effect in Dirac semimetals

Anomalous Nernst effect generates a transverse voltage perpendicular to the temperature gradient. It has several advantages compared with the longitudinal thermoelectricity for energy conversion, such as decoupling of electronic and thermal transports, higher flexibility, and simpler lateral structure. However, a design principle beyond specific materials systems for obtaining a large anomalous Nernst conductivity (ANC) is still absent. In this work, we theoretically demonstrate that a pair of Dirac nodes under a Zeeman field manifests a double-peak anomalous Hall conductivity curve with respect to the chemical potential and a compensated carriers feature, leading to an enhanced ANC pinning at the Fermi level compared with that of a simple Weyl semimetal with two Weyl nodes. Based on first-principles calculations, we then provide two Dirac semimetal candidates, i.e., Na3Bi and NaTeAu, and show that under a Zeeman field they exhibit a sizable ANC value of 0.4 A/(m*K) and 1.3 A/(m*K), respectively, near the Fermi level. Our work provides a design principle with a prototype band structure for enhanced ANC pinning at Fermi level, shedding light on the inverse design of other specific functional materials base on electronic structure.

cond-mat.mtrl-sci↗

arXiv2022

Intrinsic Magnetic Topological Materials

Topological states of matter possess bulk electronic structures categorized by topological invariants and edge/surface states due to the bulk-boundary correspondence. Topological materials hold great potential in the development of dissipationless spintronics, information storage, and quantum computation, particularly if combined with magnetic order intrinsically or extrinsically. Here, we review the recent progress in the exploration of intrinsic magnetic topological materials, including but not limited to magnetic topological insulators, magnetic topological metals, and magnetic Weyl semimetals. We pay special attention to their characteristic band features such as the gap of topological surface state, gapped Dirac cone induced by magnetization (either bulk or surface), Weyl nodal point/line, and Fermi arc, as well as the exotic transport responses resulting from such band features. We conclude with a brief envision for experimental explorations of new physics or effects by incorporating other orders in intrinsic magnetic topological materials.

cond-mat.mes-hall↗

arXiv2022

Role of hidden spin polarization in non-reciprocal transport of antiferromagnets

The discovery of hidden spin polarization (HSP) in centrosymmetric nonmagnetic crystals, i.e., spatially distributed spin polarization originated from local symmetry breaking, has promised an expanded material pool for future spintronics. However, the measurements of such exotic effects have been limited to subtle space- and momentum-resolved techniques, unfortunately hindering their applications. Here, we theoretically predict macroscopic non-reciprocal transports induced by HSP when coupling another spatially distributed quantity, such as staggered local moments in a PT-symmetric anti-ferromagnet. By using a four-band model Hamiltonian, we demonstrate that HSP plays a crucial role in determining the asymmetric bands with respect to opposite momenta. Such band asymmetry leads to non-reciprocal nonlinear conductivity, exemplified by tetragonal CuMnAs via first-principles calculations. We further provide the material design principles for large nonlinear conductivity, including two-dimensional nature, multiple band crossings near the Fermi level, and symmetry protected HSP. Our work not only reveals direct spintronic applications of HSP (such as Néel order detection), but also sheds light on finding observables of other ''hidden effects'', such as hidden optical polarization and hidden Berry curvature.

cond-mat.mtrl-sci↗

arXiv2022

A topological transition-induced giant transverse thermoelectric effect in polycrystalline Dirac semimetal Mg3Bi2

To achieve thermoelectric energy conversion, a large transverse thermoelectric effect in topological materials is crucial. However, the general relationship between topological electronic structures and transverse thermoelectric effect remains unclear, restricting the rational design of novel transverse thermoelectric materials. Herein, we demonstrate a topological transition-induced giant transverse thermoelectric effect in polycrystalline Mn-doped Mg3+δBi2 material, which has a competitively large transverse thermopower (617 uV/K), power factor (20393 uWm-1K-2), magnetoresistance (16600%), and electronic mobility (35280cm2V-1S-1). The high performance is triggered by the modulation of chemical pressure and disorder effects in the presence of Mn doping, which induces the transition from a topological insulator to a Dirac semimetal. The high-performance polycrystalline Mn-doped Mg3+δ Bi2 described in this work robustly boosts transverse thermoelectric effect through topological phase transition, paving a new avenue for the material design of transverse thermoelectricity.

cond-mat.mtrl-sci↗

arXiv2022

On the topological surface states of the intrinsic magnetic topological insulator Mn-Bi-Te family

We review recent progress in the electronic structure study of intrinsic magnetic topological insulators (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ ($n=0,1,2,3$) family. Specifically, we focus on the ubiquitously (nearly) gapless behavior of the topological surface state Dirac cone observed by photoemission spectroscopy, even though a large Dirac gap is expected because of surface ferromagnetic order. The dichotomy between experiment and theory concerning this gap behavior is perhaps the most critical and puzzling question in this frontier. We discuss various proposals accounting for the lack of magnetic effect on the topological surface state Dirac cone, which are mainly categorized into two pictures, magnetic reconfiguration, and topological surface state redistribution. Band engineering towards opening a magnetic gap of topological surface states provides great opportunities to realize quantized topological transport and axion electrodynamics at higher temperatures.

cond-mat.mes-hall↗

arXiv2022

Chiral Dirac-like fermion in spin-orbit-free antiferromagnetic semimetals

Dirac semimetal is a phase of matter, whose elementary excitation is described by the relativistic Dirac equation. In the limit of zero mass, its parity-time symmetry enforces the Dirac fermion in the momentum space, which is composed of two Weyl fermions with opposite chirality, to be non-chiral. Inspired by the flavor symmetry in particle physics, we theoretically propose a massless Dirac-like equation yet linking two Weyl fields with the identical chirality by assuming SU(2) isospin symmetry, independent of the space-time rotation exchanging the two fields. Dramatically, such symmetry is hidden in certain solid-state spin-1/2 systems with negligible spin-orbit coupling, where the spin degree of freedom is decoupled with the lattice. Therefore, the existence of the corresponding quasiparticle, dubbed as flavor Weyl fermion, cannot be explained by the conventional (magnetic) space group framework. The four-fold degenerate flavor Weyl fermion manifests linear dispersion and a Chern number of 2, leading to a robust network of topologically protected Fermi arcs throughout the Brillouin zone. For material realization, we show that the transition-metal chalcogenide CoNb3S6 with experimentally confirmed collinear antiferromagnetic order is ideal for flavor Weyl semimetal under the approximation of vanishing spin-orbit coupling. Our work reveals a counterpart of the flavor symmetry in magnetic electronic systems, leading to further possibilities of emergent phenomena in quantum materials.

cond-mat.mtrl-sci↗

arXiv2022

Layer Hall effect induced by hidden Berry curvature in antiferromagnetic insulators

The layer Hall effect describes electrons spontaneously deflected to opposite sides at different layers, which has been experimentally reported in the MnBi$_2$Te$_4$ thinfilms under perpendicular electric fields [Gao et al., Nature 595, 521 (2021)]. Here, we reveal a universal origin of the layer Hall effect in terms of the so-called hidden Berry curvature, as well as material design principles. Hence, it gives rise to zero Berry curvature in momentum space but nonzero layer-locked hidden Berry curvature in real space. We show that compared to that of a trivial insulator, the layer Hall effect is significantly enhanced in antiferromagnetic topological insulators. Our universal picture provides a paradigm for revealing the hidden physics as a result of the interplay between the global and local symmetries, and can be generalized in various scenarios.

cond-mat.mes-hall↗

arXiv2022

Topological Magnetoelectric Response in Ferromagnetic Axion Insulators

Topological magnetoelectric effect (TME) is a hallmark response of the topological field theory, which provides a paradigm shift in the study of emergent topological phenomena. However, its direct observation is yet to be realized due to the demanding magnetic configuration required to gap all the surface states. Here, we theoretically propose that the axion insulators with a simple ferromagnetic configuration, such as MnBi2Te4/(Bi2Te3)n family, provide an ideal playground to realize TME. In a designed triangular prism geometry, all the surface states are magnetically gapped. Under a vertical electric field, the surface Hall currents give rise to a nearly half-quantized orbital moment, accompanied with a gapless chiral hinge mode circulating parallelly. Thus, the orbital magnetization from the two topological origins can be easily distinguished by reversing the electric field. Our work paves a new avenue towards the direct observation of TME in realistic axion-insulator materials.

cond-mat.mes-hall↗

arXiv2022

Observation of magnetism induced topological edge state in antiferromagnetic topological insulator MnBi4Te7

Breaking time reversal symmetry in a topological insulator may lead to quantum anomalous Hall effect and axion insulator phase. MnBi4Te7 is a recently discovered antiferromagnetic topological insulator with TN ~12.5 K, which is constituted of alternatively stacked magnetic layer (MnBi2Te4) and non-magnetic layer (Bi2Te3). By means of scanning tunneling spectroscopy, we clearly observe the electronic state present at a step edge of a magnetic MnBi2Te4 layer but absent at non-magnetic Bi2Te3 layers at 4.5 K. Furthermore, we find that as the temperature rises above TN, the edge state vanishes, while the point defect induced state persists upon temperature increasing. These results confirm the observation of magnetism induced edge states. Our analysis based on an axion insulator theory reveals that the nontrivial topological nature of the observed edge state.

cond-mat.mtrl-sci↗

arXiv2022

Spin-group symmetry in magnetic materials with negligible spin-orbit coupling

Symmetry formulated by group theory plays an essential role with respect to the laws of nature, from fundamental particles to condensed matter systems. Here, by combining symmetry analysis and tight-binding model calculations, we elucidate that the crystallographic symmetries of a vast number of magnetic materials with light elements, in which the neglect of relativistic spin-orbit coupling (SOC) is an appropriate approximation, are considerably larger than the conventional magnetic groups. Thus, a symmetry description that involves partially-decoupled spin and spatial rotations, dubbed as spin group, is required. Spin group permits more symmetry operations and thus more energy degeneracies that are disallowed by the magnetic groups. One consequence of the spin group is the new anti-unitary symmetries that protect SOC-free Z_2 topological phases with unprecedented surface node structures. Our work not only manifests the physical reality of materials with weak SOC, but also shed light on the understanding of all solids with and without SOC by a unified group theory.

cond-mat.mtrl-sci↗

arXiv2022

Designing light-element materials with large effective spin-orbit coupling

Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization and application of functional materials. Therefore, amplifying the SOC effect in light elements is of great importance. Here, focusing on 3d and 4d systems, we demonstrate that the interplay between crystal symmetry and electron correlation can dramatically enhance the SOC effect in certain partially occupied orbital multiplets, through the self-consistently reinforced orbital polarization as a pivot. We then provide design principles and comprehensive databases, in which we list all the Wyckoff positions and site symmetries, in all two-dimensional (2D) and three-dimensional crystals that potentially have such enhanced SOC effect. As an important demonstration, we predict nine material candidates from our selected 2D material pool as high-temperature quantum anomalous Hall insulators with large nontrivial band gaps of hundreds of meV. Our work provides an efficient and straightforward way to predict promising SOC-active materials, releasing the burden of requiring heavy elements for next-generation spin-orbitronic materials and devices.

cond-mat.mtrl-sci↗

arXiv2022

Giant transverse and longitudinal magneto-thermoelectric effect in polycrystalline nodal-line semimetal Mg3Bi2

Topological semimetals provide new opportunities for exploring new thermoelectric phenomena, because of their exotic and nontrivial electronic structure topology around the Fermi surface. In this study, we report on the discovery of giant transverse and longitudinal magneto-thermoelectric (MTE) effects in Mg3Bi2, which is predicted to be a type-II nodal-line semimetal in the absence of spin-orbit coupling (SOC). The maximum transverse power factor is 2182 μWm^{-1}K^{-2} at 13.5 K and 6 Tesla. The longitudinal power factor reaches up to 3043μWm^{-1}K^{-2} at 15 K and 13 Tesla, which is 20 times higher than in a zero-strength magnetic field and is also comparable to state-of-the-art MTE materials. By compensating Mg loss in the Mg-rich conditions for turning carrier concentration, the sample obtained in this work shows a large linear non-saturating magnetoresistance of 940% under a field of 14 Tesla. This is a two-orders-of-magnitude increase with respect to the normal Mg-deficiency Mg3Bi2 sample. Using density functional calculations, we attribute the underlying mechanism to the parent nodal-line electronic structure without SOC and the anisotropic Fermi surface shape with SOC, highlighting the essential role of high carrier mobility and open electron orbits in moment space. Our work offers a new avenue toward highly efficient thermoelectric materials through the design of Fermi surfaces with special topological electronic structures in novel quantum materials.

cond-mat.mtrl-sci↗

arXiv2021

Pressure-Driven Magneto-Topological Phase Transition in a magnetic Weyl semimetal

The co-occurrence of phase transitions with local and global order parameters, such as the entangled magnetization and topological invariant, is attractive but has been seldom realized experimentally. Here, by using high-pressure in-situ X-ray diffraction, high-pressure electric transport measurements and high-pressure first-principles calculations, we report a magneto-topological phase transition, i.e., the phenomenon of magnetic materials undergoing different magnetic and topological phases during the process of pressure loading, in a recently discovered magnetic Weyl semimetal Co3Sn2S2. By considering both out-of-plane ferromagnetic and in-plane anti-ferromagnetic components, the calculated results can well fit the experimental data. The calculation results furtherly reveal a pristine Weyl phase with four more pairs of Weyl nodes under low pressures, and a generally-defined Z2 topological insulator phase after the restoration of time-reversal symmetry. Remarkably, the present magneto-topological phase transition involves a pair of crossing bands of two spin channels becoming degenerate. Thus, all the chiral Weyl nodes annihilate with their counterparts from another spin channel, in contrast to the typical annihilation of Weyl pairs from the same bands in inversion-asymmetric systems. Our experiments and theoretical calculations uncover a manner to modulate the diverse topological states by controlling the internal exchange splitting via external physical knobs in topological magnets.

cond-mat.mtrl-sci↗

arXiv2021

Using nonlocal surface transport to identify the axion insulator

The axion is a hypothetical but experimentally undetected particle. Recently, the antiferromagnetic topological insulator MnBi$_2$Te$_4$ has been predicted to host the axion insulator, but the experimental evidence remains elusive. Specifically, the axion insulator is believed to carry "half-quantized" chiral currents running antiparallel on its top and bottom surfaces. However, it is challenging to measure precisely the half-quantization. Here, we propose a nonlocal surface transport device, in which the axion insulator can be distinguished from normal insulators without a precise measurement of the half-quantization. More importantly, we show that the nonlocal surface transport, as a qualitative measurement, is robust in realistic situations when the gapless side surfaces and disorder come to play. Moreover, thick electrodes can be used in the device of MnBi$_2$Te$_4$ thick films, enhancing the feasibility of the surface measurements. This proposal will be insightful for the search of the axion insulator and axion in topological matter.

cond-mat.mes-hall↗

arXiv2021

Pressure-tuned intralayer exchange in superlattice-like MnBi2Te4/(Bi2Te3)n topological insulators

The magnetic structures of MnBi2Te4(Bi2Te3)n can be manipulated by tuning the interlayer coupling via the number of Bi2Te3 spacer layers n, while the intralayer ferromagnetic (FM) exchange coupling is considered too robust to control. By applying hydrostatic pressure up to 3.5 GPa, we discover opposite responses of magnetic properties for n = 1 and 2. MnBi4Te7 stays at A-type antiferromagnetic (AFM) phase with a decreasing Néel temperature and an increasing saturation field. In sharp contrast, MnBi6Te10 experiences a phase transition from A-type AFM to a quasi-two-dimensional FM state with a suppressed saturation field under pressure. First-principles calculations reveal the essential role of intralayer exchange coupling from lattice compression in determining these magnetic properties. Such magnetic phase transition is also observed in 20% Sb-doped MnBi6Te10 due to the in-plane lattice compression.

cond-mat.mtrl-sci↗

arXiv2021

Routes to realize the axion-insulator phase in MnBi$_{2}$Te$_{4}$(Bi$_{2}$Te$_{3}$)$_{n}$ family: a perspective

Axion, first postulated as a hypothetical particle in high-energy physics, is now extended to describe a novel topological magnetoelectric effect derived from the Chern-Simons theory in condensed matter systems. The recent discovered intrinsic magnetic topological insulators MnBi2Te4 and its derivatives have attracted great attention because of their potential as a material platform to realize such a quantized axion field. Since the magnetic exchange gap can bring the half-quantized anomalous Hall effect at the surface, an axion insulator manifests as quantum anomalous Hall and zero Hall plateau effects in the thin films. However, many puzzles about this material family remain elusive yet, such as the gapless surface state and the direct experimental evidence of the axion insulator. In this Perspective, we discuss the preconditions, manifestations and signatures of the axion-insulator phase, in the context of the development of the natural magnetic topological heterostructure MnBi2Te4(Bi2Te3)n family with various intriguing quantum phenomena. Recent theoretical and experimental efforts regarding the intrinsic magnetic topological insulators are summarized here to pave the way for this phenomenally developing field.

cond-mat.mtrl-sci↗