arXiv subjects

Qihang Liu

Publications and source records attributed to Qihang Liu.

At least 73 records · Page 4Linked to original sources

arXiv2021

Fragile Symmetry-Protected Half Metallicity in Two-Dimensional van der Waals Magnets: A Case Study of Monolayer FeCl2

Two-dimensional (2D) half-metallic materials are of great interest for their promising applications in spintronics. Although numerous of 2D half-metals have been proposed theoretically, rarely of them can be synthesized experimentally. Here, exemplified by monolayer FeCl2, we show three mechanisms in such quantum magnets that would cause the metal-insulator transition by using first-principles calculations. In particular, half-metallicity, especially that protected by symmetry-induced degeneracies, predicted by the previous theoretical simulations could be destroyed by electron correlation, spin-orbit coupling and further structural distortions to lower the total energy. Our work reveals the fragility of the symmetry-protected half-metals upon various competing energy-lowering mechanisms, which should be taken into account for theoretically predicting and designing quantum mateirals with exotic functionalities.

cond-mat.mtrl-sci↗

arXiv2021

Multiple Symmetry-Protected Dirac Nodal Lines in A Quasi-One-Dimensional Semimetal

Nodal-line semimetals (NLSMs) contains Dirac/Weyl type band-crossing nodes extending into shapes of line, loop and chain in the reciprocal space, leading to novel band topology and transport responses. Robust NLSMs against spin-orbit coupling typically occur in three-dimensional materials with more symmetry operations to protect the line nodes of band crossing, while the possibilities in lower-dimensional materials are rarely discussed. Here we demonstrate robust NLSM phase in a quasi-one-dimensional nonmagnetic semimetal TaNiTe5. Combining angle-resolved photoemission spectroscopy measurements and first-principles calculations, we reveal how reduced dimension can interact with nonsymmorphic symmetry and result into multiple Dirac-type nodal lines with four-fold degeneracy. Our findings suggest rich physics and application in (quasi-)one-dimensional topological materials and call for further investigation on the interplay between the quantum confinement and nontrivial band topology.

cond-mat.other↗

arXiv2021

Koopmans' theorem as the mechanism of nearly gapless surface states in self-doped magnetic topological insulators

The magnetization-induced gap at the surface state is widely believed as the kernel of magnetic topological insulators (MTIs) because of its relevance to various topological phenomena, such as the quantum anomalous Hall effect and the axion insulator phase. However, if the magnetic gap exists in an intrinsic MTI, such as MnBi$_{2}$Te$_{4}$, still remains elusive, with significant discrepancies between theoretical predictions and various experimental observations. Here, including the previously overlooked self-doping in real MTIs, we find that in general a doped MTI prefers a ground state with a gapless surface state. We use a simple model based on Koopmans' theorem to elucidate the mechanism and further demonstrated it in self-doped MnBi$_{2}$Te$_{4}$/(Bi$_{2}$Te$_{3}$)$_{n}$ family through first-principles calculations. Our work shed light on the design principles of MTIs with magnetic gaps by revealing the critical role of doping effects in understanding the delicate interplay between magnetism and topology.

cond-mat.mtrl-sci↗

arXiv2021

Spectral signatures of the surface anomalous Hall effect in magnetic axion insulators

The topological surface states of magnetic topological systems, such as Weyl semimetals and axion insulators, are associated with unconventional transport properties such as nonzero or half-quantized surface anomalous Hall effect. Here we study the surface anomalous Hall effect and its spectral signatures in different magnetic topological phases using both model Hamiltonian and first-principles calculations. We demonstrate that by tailoring the magnetization and interlayer electron hopping, a rich three-dimensional topological phase diagram can be established, including three types of topologically distinct insulating phases bridged by Weyl semimetals, and can be directly mapped to realistic materials such as MnBi2Te4/(Bi2Te3)n systems. Among them, we find that the surface anomalous Hall conductivity in the axion-insulator phase is a well-localized quantity either saturated at or oscillating around e2/2h, depending on the magnetic homogeneity. We also discuss the resultant chiral hinge modes embedded inside the side surface bands as the potential experimental signatures for transport measurements. Our study is a significant step forward towards the direct realization of long-sought axion insulators in realistic material systems.

cond-mat.mes-hall↗

arXiv2020

Observation of spin-momentum-layer locking in centrosymmetric BiOI

Spin polarization effects in nonmagnetic materials are generally believed as an outcome of spin-orbit coupling provided that the global inversion symmetry is lacking, also known as 'spin-momentum locking'. The recently discovered hidden spin polarization indicates that specific atomic site asymmetry could also induce measurable spin polarization, leading to a paradigm shift to centrosymmetric crystals for potential spintronic applications. Here, combining spin- and angle-resolved photoemission spectroscopy and theoretical calculations, we report distinct spin-layer locking phenomena surrounding different high-symmetry momenta in a centrosymmetric, layered material BiOI. The measured spin is highly polarized along the Brillouin zone boundary, while is almost vanishing around the zone center due to its nonsymmorphic crystal structure. Our work not only demonstrates the existence of hidden spin polarization, but also uncovers the microscopic mechanism of the way spin, momentum and layer locking to each other, shedding lights on the design metrics for future spintronic devices.

cond-mat.mtrl-sci↗

arXiv2020

Analytical solution for the surface states of antiferromagnetic topological insulator MnBi$_2$Te$_4$

Recently, the intrinsic magnetic topological insulator MnBi$_2$Te$_4$ has attracted great attention. It has an out-of-plane antiferromagnetic order, which is believed to open a sizable energy gap in the surface states. This gap, however, was not always observable in the latest angle-resolved photoemission spectroscopy (ARPES) experiments. To address this issue, we analytically derive an effective model for the two-dimensional (2D) surface states by starting from a three-dimensional (3D) Hamiltonian for bulk MnBi$_2$Te$_4$ and taking into account the spatial profile of the bulk magnetization. Our calculations suggest that the diminished surface gap may be caused by a much smaller and more localized intralayer ferromagnetic order. In addition, we calculate the spatial distribution and penetration depth of the surface states, which indicates that the surface states are mainly embedded in the first two septuple layers from the terminating surface. From our analytical results, the influence of the bulk parameters on the surface states can be found explicitly. Furthermore, we derive a $\bf{k}\cdot \bf{p}$ model for MnBi$_2$Te$_4$ thin films and show the oscillation of the Chern number between odd and even septuple layers. Our results will be helpful for the ongoing explorations of the MnBi$_x$Te$_y$ family.

cond-mat.mes-hall↗

arXiv2020

Half-Magnetic Topological Insulator

Topological magnets are a new family of quantum materials providing great potential to realize emergent phenomena, such as quantum anomalous Hall effect and axion-insulator state. Here we present our discovery that stoichiometric ferromagnet MnBi8Te13 with natural heterostructure MnBi2Te4-(Bi2Te3)3 is an unprecedented half-magnetic topological insulator, with the magnetization existing at the MnBi2Te4 surface but not at the opposite surface terminated by triple Bi2Te3 layers. Our angle-resolved photoemission spectroscopy measurements unveil a massive Dirac gap at the MnBi2Te4 surface, and gapless Dirac cone on the other side. Remarkably, the Dirac gap (~28 meV) at MnBi2Te4 surface decreases monotonically with increasing temperature and closes right at the Curie temperature, thereby representing the first smoking-gun spectroscopic evidence of magnetization-induced topological surface gap among all known magnetic topological materials. We further demonstrate theoretically that the half-magnetic topological insulator is desirable to realize the half-quantized surface anomalous Hall effect, which serves as a direct proof of the general concept of axion electrodynamics in condensed matter systems.

cond-mat.mtrl-sci↗

arXiv2020

33% Giant Anomalous Hall Current Driven by both Intrinsic and Extrinsic Contributions in Magnetic Weyl Semimetal Co3Sn2S2

Anomalous Hall effect (AHE) can be induced by intrinsic mechanism due to the band Berry phase and extrinsic one arising from the impurity scattering. The recently discovered magnetic Weyl semimetal Co3Sn2S2 exhibits a large intrinsic anomalous Hall conductivity (AHC) and a giant anomalous Hall angle (AHA). The predicted energy dependence of the AHC in this material exhibits a plateau at 1000 Ω-1 cm-1 and an energy width of 100 meV just below EF, thereby implying that the large intrinsic AHC will not significantly change against small-scale energy disturbances such as slight p-doping. Here, we successfully trigger the extrinsic contribution from alien-atom scattering in addition to the intrinsic one of the pristine material by introducing a small amount of Fe dopant to substitute Co in Co3Sn2S2. Our experimental results show that the AHC and AHA can be prominently enhanced up to 1850 Ω-1 cm-1 and 33%, respectively, owing to the synergistic contributions from the intrinsic and extrinsic mechanisms as distinguished by the TYJ model. In particular, the tuned AHA holds a record value in low fields among known magnetic materials. This study opens up a pathway to engineer giant AHE in magnetic Weyl semimetals, thereby potentially advancing the topological spintronics/Weyltronics.

cond-mat.mtrl-sci↗

arXiv2020

Spectroscopic realization of large surface gap in a doped magnetic topological insulator

Realization of the quantum anomalous Hall effect and axion electrodynamics in topological materials are among the paradigmatic phenomena in condensed matter physics. Recently, signatures of both phases are observed to exist in thin films of MnBi$_2$Te$_4$, a stoichiometric antiferromagnetic topological insulator. Direct evidence of the bulk topological magnetoelectric response in an axion insulator requires an energy gap at its topological surface state (TSS). However, independent spectroscopic experiments revealed that such a surface gap is absent, or much smaller than previously thought, in MnBi$_2$Te$_4$. Here, we utilize angle resolved photoemission spectroscopy and density functional theory calculations to demonstrate that a sizable TSS gap unexpectedly exists in Sb-doped MnBi$_2$Te$_4$. This gap is found to be topologically nontrivial, insensitive to the bulk antiferromagnetic-paramagnetic transition, while enlarges along with increasing Sb concentration. Our work shows that Mn(Bi$_{1-x}$Sb$_x$)$_2$Te$_4$ is a potential platform to observe the key features of the high-temperature axion insulator state, such as the topological magnetoelectric responses and half-integer quantum Hall effects.

cond-mat.mtrl-sci↗

arXiv2020

Spontaneous Surface Collapse and Reconstruction in Antiferromagnetic Topological Insulator MnBi$_2$Te$_4$

MnBi$_2$Te$_4$ is an antiferromagnetic topological insulator which stimulates intense interests due to the exotic quantum phenomena and promising device applications. Surface structure is a determinant factor to understand the novel magnetic and topological behavior of MnBi2Te4, yet its precise atomic structure remains elusive. Here, we discovered a spontaneous surface collapse and reconstruction in few-layer MnBi2Te4 exfoliated under delicate protection. Instead of the ideal septuple-layer structure in the bulk, the collapsed surface is shown to reconstruct as Mn-doped Bi$_2$Te$_3$ quintuple-layer and Mn$_x$Bi$_y$Te double-layer with a clear van der Waals gap in between. Combining with first-principles calculations, such spontaneous surface collapse is attributed to the abundant intrinsic Mn-Bi antisite defects and tellurium vacancy in the exfoliated surface, which is further supported by in-situ annealing and electron irradiation experiments. Our results shed light on the understanding of the intricate surface-bulk correspondence of MnBi$_2$Te$_4$, and provide insightful perspective of the surface-related quantum measurements in MnBi$_2$Te$_4$ few-layer devices.

cond-mat.mtrl-sci↗

arXiv2020

Disorder-Induced Elevation of Intrinsic Anomalous Hall Conductance in an Electron-Doped Magnetic Weyl Semimetal

Topological materials are expected to show distinct transport signatures due to their unique band-inversion character and band-crossing points. However, the intentional modulation of such topological responses by experimentally feasible means is less explored. Here, an unusual elevation of anomalous Hall effect (AHE) is obtained in electron(Ni)-doped magnetic Weyl semimetal Co3-xNixSn2S2, showing peak values of anomalous Hall-conductivity, Hall-angle and Hall-factor at a relatively low doping level of x = 0.11. The separation of intrinsic and extrinsic contributions to total AHE using TYJ scaling model indicates that such significant enhancement is dominated by the intrinsic mechanism of electronic Berry curvature. Theoretical calculations reveal that compared with the Fermi-level shifting from electron filling, a usually overlooked effect of doping, i.e., local disorder, imposes a striking effect on broadening the bands and narrowing the inverted gap, and thus results in an elevation of the integrated Berry curvature. Our results not only realize the enhancement of AHE in a magnetic Weyl semimetal, but also provide a practical design principle to modulate the bands and transport properties in topological materials, by exploiting the disorder effect of doping.

cond-mat.mtrl-sci↗

arXiv2020

Distinct Topological Surface States on the Two Terminations of MnBi$_4$Te$_7$

The recent discovered intrinsic magnetic topological insulator MnBi2Te4 have been met with unusual success in hosting emergent phenomena such as the quantum anomalous Hall effect and the axion insulator states. However, the surface-bulk correspondence of the Mn-Bi-Te family, composed by the superlattice-like MnBi2Te4/(Bi2Te3)n (n = 0, 1, 2, 3 ...) layered structure, remains intriguing but elusive. Here, by using scanning tunneling microscopy (STM) and angle-resolved photoemission spectroscopy (ARPES) techniques, we unambiguously assign the two distinct surface states of MnBi4Te7 (n = 1) to the quintuple-layer (QL) Bi2Te3 termination and the septuple-layer (SL) MnBi2Te4 termination, respectively. A comparison of the experimental observations with theoretical calculations reveals the diverging topological behaviors, especially the hybridization effect between magnetic and nonmagnetic layers, on the two terminations: a gap on the QL termination originating from the topological surface states of the QL hybridizing with the bands of the beneath SL, and a gapless Dirac-cone band structure on the SL termination with time-reversal symmetry. The quasi-particle interference patterns further confirm the topological nature of the surface states for both terminations, continuing far above the Fermi energy. The QL termination carries a spin-helical Dirac state with hexagonal warping, while at the SL termination, a strongly canted helical state from the surface lies between a pair of Rashba-split states from its neighboring layer. Our work elucidates an unprecedented hybridization effect between the building blocks of the topological surface states, and also reveals the termination-dependent time-reversal symmetry breaking in a magnetic topological insulator, rendering an ideal platform to realize the half-integer quantum Hall effect and relevant quantum phenomena.

cond-mat.mtrl-sci↗

arXiv2020

Experimental Detection of the Quantum Phases of a Three-Dimensional Topological Insulator on a Spin Quantum Simulator

The detection of topological phases of matter becomes a central issue in recent years. Conventionally, the realization of a specific topological phase in condensed matter physics relies on probing the underlying surface band dispersion or quantum transport signature of a real material, which may be imperfect or even absent. On the other hand, quantum simulation offers an alternative approach to directly measure the topological invariant on a universal quantum computer. However, experimentally demonstrating high-dimensional topological phases remains a challenge due to the technical limitations of current experimental platforms. Here, we investigate the three-dimensional topological insulators in the AIII (chiral unitary) symmetry class which yet lack experimental realization. Using the nuclear magnetic resonance system, we experimentally demonstrate their topological properties, where a dynamical quenching approach is adopted and the dynamical bulk-boundary correspondence in the momentum space is observed. As a result, the topological invariants are measured with high precision on the band-inversion surface, exhibiting robustness to the decoherence effect. Our work paves the way towards the quantum simulation of topological phases of matter in higher dimensions and more complex systems through controllable quantum phases transitions.

quant-ph↗

arXiv2019

Strongly Gapped Topological Surface States on Protected Surfaces of Antiferromagnetic MnBi$_4$Te$_7$ and MnBi$_6$Te$_{10}$

The search for materials to support the Quantum Anomalous Hall Effect (QAHE) have recently centered on intrinsic magnetic topological insulators (MTIs) including MnBi$_2$Te$_4$ or heterostructures made up of MnBi$_2$Te$_4$ and Bi$_2$Te$_3$. While MnBi$_2$Te$_4$ is itself a MTI, most recent ARPES experiments indicate that the surface states on this material lack the mass gap that is expected from the magnetism-induced time-reversal symmetry breaking (TRSB), with the absence of this mass gap likely due to surface magnetic disorder. Here, utilizing small-spot ARPES scanned across the surfaces of MnBi$_4$Te$_7$ and MnBi$_6$Te$_{10}$, we show the presence of large mass gaps (~ 100 meV scale) on both of these materials when the MnBi$_2$Te$_4$ surfaces are buried below one layer of Bi$_2$Te$_3$ that apparently protects the magnetic order, but not when the MnBi$_2$Te$_4$ surfaces are exposed at the surface or are buried below two Bi$_2$Te$_3$ layers. This makes both MnBi$_4$Te$_7$ and MnBi$_6$Te$_{10}$ excellent candidates for supporting the QAHE, especially if bulk devices can be fabricated with a single continuous Bi$_2$Te$_3$ layer at the surface.

cond-mat.str-el↗

arXiv2019

Magnetic order induced polarization anomaly of Raman scattering in 2D magnet CrI$_3$

The recent discovery of 2D magnets has revealed various intriguing phenomena due to the coupling between spin and other degree of freedoms (such as helical photoluminescence, nonreciprocal SHG). Previous research on the spin-phonon coupling effect mainly focuses on the renormalization of phonon frequency. Here we demonstrate that the Raman polarization selection rules of optical phonons can be greatly modified by the magnetic ordering in 2D magnet CrI$_3$. For monolayer samples, the dominant A$\rm_{1g}$ peak shows abnormally high intensity in the cross polarization channel at low temperature, which is forbidden by the selection rule based on the lattice symmetry. While for bilayer, this peak is absent in the cross polarization channel for the layered antiferromagnetic (AFM) state and reappears when it is tuned to the ferromagnetic (FM) state by an external magnetic field. Our findings shed light on exploring the emergent magneto-optical effects in 2D magnets.

cond-mat.mes-hall↗

arXiv2019

A van der Waals antiferromagnetic topological insulator with weak interlayer magnetic coupling

Magnetic topological insulators (TI) provide an important material platform to explore quantum phenomena such as quantized anomalous Hall (QAH) effect and Majorana modes, etc. Their successful material realization is thus essential for our fundamental understanding and potential technical revolutions. By realizing a bulk van der Waals material MnBi4Te7 with alternating septuple [MnBi2Te4] and quintuple [Bi2Te3] layers, we show that it is ferromagnetic in plane but antiferromagnetic along the c axis with an out-of-plane saturation field of ~ 0.22 T at 2 K. Our angle-resolved photoemission spectroscopy measurements and first-principles calculations further demonstrate that MnBi4Te7 is a Z2 antiferromagnetic TI with two types of surface states associated with the [MnBi2Te4] or [Bi2Te3] termination, respectively. Additionally, its superlattice nature may make various heterostructures of [MnBi2Te4] and [Bi2Te3] layers possible by exfoliation. Therefore, the low saturation field and the superlattice nature of MnBi4Te7 make it an ideal system to investigate rich emergent phenomena.

cond-mat.mtrl-sci↗

arXiv2019

Gapless surface Dirac cone in antiferromagnetic topological insulator MnBi$_2$Te$_4$

The recent discovered antiferromagnetic topological insulators in Mn-Bi-Te family with intrinsic magnetic ordering have rapidly drawn broad interest since its cleaved surface state is believed to be gapped, hosting the unprecedented axion states with half-integer quantum Hall effect. Here, however, we show unambiguously by using high-resolution angle-resolved photoemission spectroscopy that a gapless Dirac cone at the (0001) surface of MnBi$_2$Te$_4$ exists between the bulk band gap. Such unexpected surface state remains unchanged across the bulk Néel temperature, and is even robust against severe surface degradation, indicating additional topological protection. Through symmetry analysis and $\textit{ab}$-$\textit{initio}$ calculations we consider different types of surface reconstruction of the magnetic moments as possible origins giving rise to such linear dispersion. Our results reveal that the intrinsic magnetic topological insulator hosts a rich platform to realize various topological phases such as topological crystalline insulator and time-reversal-preserved topological insulator, by tuning the magnetic configurations.

cond-mat.mtrl-sci↗

arXiv2019

Non-trivial topology in a layered Dirac nodal-line semimetal candidate SrZnSb$_2$ with distorted Sb square nets

Dirac states hosted by Sb/Bi square nets are known to exist in the layered antiferromagnetic AMnX$_2$ (A = Ca/Sr/Ba/Eu/Yb, X=Sb/Bi) material family the space group to be P4/nmm or I4/mmm. In this paper, we present a comprehensive study of quantum transport behaviors, angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations on SrZnSb2, a nonmagnetic analogue to AMnX2, which crystallizes in the pnma space group with distorted square nets. From the quantum oscillation measurements up to 35 T, three major frequencies including F$_1$ = 103 T, F$_2$ = 127 T and F$_3$ = 160 T, are identified. The effective masses of the quasiparticles associated with these frequencies are extracted, namely, m*$_1$ = 0.1 m$_e$, m*$_2$ = 0.1 m$_e$ and m*$_3$ = 0.09m$_e$, where m$_e$ is the free electron mass. From the three-band Lifshitz-Kosevich fit, the Berry phases accumulated along the cyclotron orbit of the quasiparticles are 0.06$π$, 1.2$π$ and 0.74$π$ for F$_1$, F$_2$ and F$_3$, respectively. Combined with the ARPES data and the first-principles calculations, we reveal that F2 and F3 are associated with the two nontrivial Fermi pockets at the Brillouin zone edge while F1 is associated with the trivial Fermi pocket at the zone center. In addition, the first-principles calculations further suggest the existence of Dirac nodal line in the band structure of SrZnSb$_2$.

cond-mat.mtrl-sci↗