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Simin Nie

Publications and source records attributed to Simin Nie.

At least 19 recordsLinked to original sources

Fate of the non-Abelian Moore-Read manifold under the non-Hermitian skin effect

We study a non-Abelian Moore-Read fractional Chern insulator under a translation-preserving, nonreciprocal deformation that generates the non-Hermitian skin effect under open boundaries. The model combines the imaginary-gauge Hatano-Nelson deformation with a kagome-lattice three-body interaction designed to stabilize Moore-Read order at $\nu=1/2$. Our primary diagnostic is the biorthogonal $(2,4)$-admissible particle-entanglement counting of the sixfold Moore-Read manifold, the standard Moore-Read fingerprint. Across three sizes ($N=16,20,24$), the counting locks to the clean references 1308, 3965, and 9282 over finite nonreciprocity windows through $\gamma\le0.55$, $0.65$, and $0.74$, respectively, with positive reference-rank entanglement gaps. Within every reported window the count is unchanged by the spectral readings tested; at $N=16$ it is also unchanged across three reduced density operators, with all 15 combinations returning 1308. The sixfold pattern for even $N_f$ and the adiabatically tracked Ising-odd doublet remain separated over the tested range $\gamma\le0.6$. Beyond a geometry-dependent threshold the instantaneous-lowest-six reference-rank gap drops sharply and its counting destabilizes. At $N=24$ a sector-0 branch pair becomes complex conjugate over a narrow interval inside the delocking bracket; both continuations through the interval are delocked at the tested PES points $\gamma=0.76$, $0.77$, and $0.80$. A same-lattice Abelian $\nu=1/3$ Laughlin realization retains its counting to $\gamma=1.0$, so its counting is the more robust. On the torus the eigenstates remain extended; under open boundaries the right and left states skin-localize at opposite edges while the biorthogonal particle-entanglement spectrum is invariant under the imaginary-gauge similarity, so the torus and the open cylinder probe the same deformation under periodic and open boundaries.

cond-mat.str-el

Striped magnetization plateau and chirality-reversible anomalous Hall effect in a magnetic kagome metal

Kagome materials with magnetic frustration in two-dimensional networks are known for their exotic properties, such as the anomalous Hall effect (AHE) with non-collinear spin textures. However, the effects of one-dimensional (1D) spin chains within these networks are less understood. Here, we report a distinctive AHE in the bilayer-distorted kagome material GdTi$_3$Bi$_4$, featuring 1D Gd zigzag spin chains, a one-third magnetization plateau, and two successive metamagnetic transitions. At these metamagnetic transitions, Hall resistivity shows abrupt jumps linked to the formation of stripe domain walls, while within the plateau, the absence of detectable domain walls suggests possible presence of skyrmion phase. Reducing the sample size to a few microns reveals additional Hall resistivity spikes, indicating domain wall skew scattering contributions. Magnetic atomistic spin dynamics simulations reveal that the magnetic textures at these transitions have reverse chirality, explaining the evolution of AHE and domain walls with fields. These results underscore the potential of magnetic and crystal symmetry interplay, and magnetic field-engineered spin chirality, for controlling domain walls and tuning transverse properties, advancing spintronic applications.

cond-mat.str-el

Spectroscopic origin of giant anomalous Hall effect in an interwoven magnetic kagome metal

The discovery of a giant anomalous Hall effect (AHE) and its novel mechanism holds significant promise for advancing both fundamental research and practical applications. Magnetic kagome lattice materials are uniquely suited for studying the AHE due to their interplay between electronic structure, topology, and magnetism. However, the geometric frustration inherent in kagome lattices often limits the configuration and tunability of magnetic order. Here, we present a new design strategy for kagome-lattice materials with emergent magnetism, exemplified by the magnetic kagome metal TbTi$_3$Bi$_4$, which features interwoven magnetic Tb zigzag chains and non-magnetic Ti kagome bilayers. This material exhibits a record-high anomalous Hall conductivity (AHC) of 10$^5$ $\Omega^{-1}$ cm$^{-1}$. Spectroscopy measurements reveal a large band folding gap observed via angle-resolved photoemission spectroscopy, coexisting spin-density-wave (SDW) order detected through spin-polarized scanning tunneling spectroscopy, and a spiral magnetic order with large magnetic moments identified by neutron diffraction. These findings highlight a strong electron-magnetic coupling between itinerant charges and ordered magnetic moments, offering a spectroscopic explanation for the giant AHC in TbTi$_3$Bi$_4$. This work establishes a pathway for innovative material design strategies, unlocking new possibilities for future exploration and applications in quantum and spintronic technologies.

cond-mat.str-el

Magnetic Weyl semimetal in K$_{2}$Mn$_3$(AsO$_{4}$)$_3$ with the minimum number of Weyl points

The "Hydrogen atom" of magnetic Weyl semimetals, with the minimum number of Weyl points, have received growing attention recently due to the possible presence of Weyl-related phenomena. Here, we report a nontrivial electronic structure of the ferromagnetic alluaudite-type compound K$_{2}$Mn$_3$(AsO$_{4}$)$_3$. It exhibits only a pair of Weyl points constrained in the $z$-direction by the two-fold rotation symmetry, leading to extremely long Fermi arc surface states. In addition, the study of its low-energy effective model results in the discovery of various topological superconducting states, such as the "hydrogen atom" of a Weyl superconductor. Our work provides a feasible platform to explore the intrinsic properties related to Weyl points, and the related device applications.

cond-mat.mtrl-sci

Tunable Dirac Semimetals with Higher-order Fermi Arcs in Kagome Lattices Pd$_3$Pb$_2$X$_2$ (X = S, Se)

Bulk-boundary correspondence has achieved a great success in the identification of topological states. However, this elegant strategy doesn't apply to the Dirac semimetals (DSMs). Here, we propose that kagome lattices Pd$_3$Pb$_2$X$_2$ (X = S, Se) are unique type-I DSMs without surface Fermi arc states, which are different from the previous well-known DSMs, such as Na$_3$Bi and Cd$_3$As$_2$. Pd$_3$Pb$_2$X$_2$ are characterized by nontrivial topological invariant Z$_3$, guaranteeing a higher-order bulk-hinge correspondence and the existence of higher-order Fermi arcs, as well as fractional corner charges on the hinges. The type-I DSMs are located at the phase boundaries of several topological phases, including type-II DSMs and three-dimensional weak topological insulators. The phase transitions can be easily manipulated by external strain. Our results provide feasible platforms for the study of these unique DSMs and the related phase transitions.

cond-mat.mtrl-sci

Multiple mobile excitons manifested as sidebands in quasi-one-dimensional metallic TaSe3

Charge neutrality and their expected itinerant nature makes excitons potential transmitters of information. However, exciton mobility remains inaccessible to traditional optical experiments that only create and detect excitons with negligible momentum. Here, using angle-resolved photoemission spectroscopy, we detect dispersing excitons in the quasi-one-dimensional metallic trichalcogenide, TaSe3. The low density of conduction electrons and the low dimensionality in TaSe3 combined with a polaronic renormalization of the conduction band and the poorly screened interaction between these polarons and photo-induced valence holes leads to various excitonic bound states that we interpret as intrachain and interchain excitons, and possibly trions. The thresholds for the formation of a photo-hole together with an exciton appear as side valence bands with dispersions nearly parallel to the main valence band, but shifted to lower excitation energies. The energy separation between side and main valence bands can be controlled by surface doping, enabling the tuning of certain exciton properties.

cond-mat.str-el

Application of topological quantum chemistry in electrides

The recently developed theory of topological quantum chemistry (TQC) has built a close connection between band representations in momentum space and orbital characters in real space. It provides an effective way to diagnose topological materials, leading to the discovery of lots of topological materials after the screening of all known nonmagnetic compounds. On the other hand, it can also efficiently reveal spacial orbital characters, including average charge centers and site-symmetry characters. By using TQC theory with the computed irreducible representations in the first-principles calculations, we demonstrate that the electrides with excess electrons serving as anions at vacancies can be well identified by analyzing band representations (BRs), which cannot be expressed as a sum of atomic-orbital-induced band representations (aBRs). In fact, the floating bands (formed by the excess electrons) belong to the BRs induced from the "pseudo-orbitals" centered at vacancies. In other words, the electrides are proved to be unconventional ionic crystals, where a set of occupied bands is not a sum of aBRs but necessarily contains a BR from vacancies. The TQC theory provides a promising avenue to pursue more electride candidates in ionic crystals.

cond-mat.mtrl-sci

Discovery of Ĉ$_2$ rotation anomaly in topological crystalline insulator SrPb

Topological crystalline insulators (TCIs) are insulating electronic states with nontrivial topology protected by crystalline symmetries. Recently, theory has proposed new classes of TCIs protected by rotation symmetries Ĉ$_n$, which have surface rotation anomaly evading the fermion doubling theorem, i.e. n instead of 2n Dirac cones on the surface preserving the rotation symmetry. Here, we report the first realization of the Ĉ$_2$ rotation anomaly in a binary compound SrPb. Our first-principles calculations reveal two massless Dirac fermions protected by the combination of time-reversal symmetry T and Ĉ$_{2y}$ on the (010) surface. Using angle-resolved photoemission spectroscopy, we identify two Dirac surface states inside the bulk band gap of SrPb, confirming the Ĉ$_2$ rotation anomaly in the new classes of TCIs. The findings enrich the classification of topological phases, which pave the way for exploring exotic behaviour of the new classes of TCIs.

cond-mat.mtrl-sci

Topological insulators in the NaCaBi family with large SOC gaps

By means of first-principles calculations and crystal structure searching techniques, we predict that a new NaCaBi family crystallized into the ZrBeSi-type structure (\ie $P6_{3}/mmc$) are strong topological insulators (STIs). Taking $P6_{3}/mmc$ NaCaBi as an example, the calculated band structure indicates that there is a band inversion between two opposite-parity bands at the $Γ$ point. In contrast to the well-known Bi$_2$Se$_3$ family, the band inversion in the NaCaBi family has already occured even without spin-orbit coupling (SOC), giving rise to a nodal ring surrounding $Γ$ in the $k_z=0$ plane (protected by $M_z$ symmetry). With time reversal symmetry $(\cal T)$ and inversion symmetry $(\cal I)$, the spinless nodal-line metallic phase protected by $[{\cal TI}]^2=1$ is the weak-SOC limit of the spinful topological insulating phase. Upon including SOC, the nodal ring is gapped, driving the system into a STI. Besides inversion symmetry, the nontrivial topology of NaCaBi can also be indicated by $\bar{6}$ symmetry. More surprisingly, the SOC-induced band gap in NaCaBi is about 0.34 eV, which is larger than the energy scale of room temperature. Four other compounds (KBaBi, KSrBi, RbBaBi and RbSrBi) in the family are stable at ambient pressure, both in thermodynamics and lattice dynamics, even though the gaps of them are smaller than that of NaCaBi. Thus, they provide good platforms to study topological states both in theory and experiments.

cond-mat.mtrl-sci

High-throughput screening for Weyl Semimetals with S$_{4}$ Symmetry

Based on irreducible representations (or symmetry eigenvalues) and compatibility relations, a material can be predicted to be a topological/trivial insulator [satisfying compatibility relations] or a topological semimetal [violating compatibility relations]. However, Weyl semimetals usually go beyond this symmetry-based strategy. In other words, Weyl nodes could emerge in a material, no matter if its occupied bands satisfy compatibility relations, or if the symmetry indicators are zero. In this work, we propose a new topological invariant $χ$ for the systems with S$_4$ symmetry [i.e., the improper rotation S$_4$ ($\equiv$ IC$_{4z}$) is a proper four-fold rotation (C$_{4z}$) followed by inversion (I)], which can be used to diagnose the Weyl semimetal phase. Moreover, $χ$ can be easily computed through the one-dimensional Wilson-loop technique. By applying this method to the high-throughput screening in first-principles calculations, we predict a lot of Weyl semimetals in both nonmagnetic and magnetic compounds. Various interesting properties (e.g. magnetic frustration effects, superconductivity and spin-glass order, etc.) are found in predicted Weyl semimetals, which provide realistic platforms for future experimental study of the interplay between Weyl fermions and other exotic states.

cond-mat.mtrl-sci

Observation of quantum spin Hall states in Ta$_2$Pd$_3$Te$_5$

Two-dimensional topological insulators (2DTIs), which host the quantum spin Hall (QSH) effect, are one of the key materials in next-generation spintronic devices. To date, experimental evidence of the QSH effect has only been observed in a few materials, and thus, the search for new 2DTIs is at the forefront of physical and materials science. Here, we report experimental evidence of a 2DTI in the van der Waals material Ta$_2$Pd$_3$Te$_5$. First-principles calculations show that each monolayer of Ta$_2$Pd$_3$Te$_5$ is a 2DTI with weak interlayer interactions. Combined transport, angle-resolved photoemission spectroscopy, and scanning tunneling microscopy measurements confirm the existence of a band gap at the Fermi level and topological edge states inside the gap. These results demonstrate that Ta$_2$Pd$_3$Te$_5$ is a promising material for fabricating spintronic devices based on the QSH effect.

cond-mat.mtrl-sci

Quantum Spin Hall Effect in Ta$_2$M$_3$Te$_5$ (M = Pd, Ni)

Quantum spin Hall (QSH) effect with great promise for the potential application in spintronics and quantum computing has attracted extensive research interest from both theoretical and experimental researchers. Here, we predict monolayer Ta$_2$Pd$_3$Te$_5$ can be a QSH insulator based on first-principles calculations. The interlayer binding energy in the layered van der Waals compound Ta$_2$Pd$_3$Te$_5$ is 19.6 meV/A$^2$; thus, its monolayer/thin-film structures could be readily obtained by exfoliation. The band inversion near the Fermi level ($E_F$) is an intrinsic characteristic, which happens between Ta-$5d$ and Pd-$4d$ orbitals without spin-orbit coupling (SOC). The SOC effect opens a global gap and makes the system a QSH insulator. With the $d$-$d$ band-inverted feature, the nontrivial topology in monolayer Ta$_2$Pd$_3$Te$_5$ is characterized by the time-reversal topological invariant $\mathbb Z_2=1$, which is computed by the one-dimensional (1D) Wilson loop method as implemented in our first-principles calculations. The helical edge modes are also obtained using surface Green's function method. Our calculations show that the QSH state in Ta$_2M_3$Te$_5$ ($M=$ Pd, Ni) can be tuned by external strain. These monolayers and thin films provide feasible platforms for realizing QSH effect as well as related devices.

cond-mat.mtrl-sci

Observation and control of the weak topological insulator state in ZrTe5

A quantum spin Hall insulator hosts topological states at the one-dimensional edge, along which backscattering by nonmagnetic impurities is strictly prohibited and dissipationless current flows. Its 3D analogue, a weak topological insulator (WTI), possesses similar quasi-1D topological states confined at side surfaces of crystals. The enhanced confinement could provide a route for dissipationless current and better advantages for applications relative to the widely studied strong topological insulators. However, the topological side surface is usually not cleavable and is thus hard to observe by angle-resolved photoemission spectroscopy (ARPES), which has hindered the revealing of the electronic properties of WTIs. Here, we visualize the topological surface states of the WTI candidate ZrTe5 for the first time by spin and angle-resolved photoemission spectroscopy: a quasi-1D band with spin-momentum locking was revealed on the side surface. We further demonstrate that the bulk band gap in ZrTe5 is controlled by strain to the crystal, realizing a more stabilized WTI state or an ideal Dirac semimetal state depending on the direction of the external strain. The highly directional spin-current and the tunable band gap we found in ZrTe5 will provide an excellent platform for applications.

cond-mat.mtrl-sci

Observation of topological electronic structure in quasi-1D superconductor TaSe3

Topological superconductors (TSCs), with the capability to host Majorana bound states that can lead to non-Abelian statistics and application in quantum computation, have been one of the most intensively studied topics in condensed matter physics recently. Up to date, only a few compounds have been proposed as candidates of intrinsic TSCs, such as doped topological insulator CuxBi2Se3 and iron-based superconductor FeTe0.55Se0.45. Here, by carrying out synchrotron and laser based angle-resolved photoemission spectroscopy (ARPES), we systematically investigated the electronic structure of a quasi-1D superconductor TaSe3, and identified the nontrivial topological surface states. In addition, our scanning tunneling microscopy (STM) study revealed a clean cleaved surface with a persistent superconducting gap, proving it suitable for further investigation of potential Majorana modes. These results prove TaSe3 as a stoichiometric TSC candidate that is stable and exfoliable, therefore a great platform for the study of rich novel phenomena and application potentials.

cond-mat.mtrl-sci

Magnetic topological insulator MnBi6Te10 with zero-field ferromagnetic state and gapped Dirac surface states

Magnetic topological insulators (TIs) with nontrivial topological electronic structure and broken time-reversal symmetry exhibit various exotic topological quantum phenomena. The realization of such exotic phenomena at high temperature is one of central topics in this area. We reveal that MnBi6Te10 is a magnetic TI with an antiferromagnetic ground state below 10.8 K whose nontrivial topology is manifested by Dirac-like surface states. The ferromagnetic axion insulator state with Z4 = 2 emerges once spins polarized at field as low as 0.1 T, accompanied with saturated anomalous Hall resistivity up to 10 K. Such a ferromagnetic state is preserved even external field down to zero at 2 K. Theoretical calculations indicate that the few-layer ferromagnetic MnBi6Te10 is also topologically nontrivial with a non-zero Chern number. Angle-resolved photoemission spectroscopy experiments further reveal three types of Dirac surface states arising from different terminations on the cleavage surfaces, one of which has insulating behavior with an energy gap of ~ 28 meV at the Dirac point. These outstanding features suggest that MnBi6Te10 is a promising system to realize various topological quantum effects at zero field and high temperature.

cond-mat.mtrl-sci

Six-fold Excitations in Electrides

Due to the lack of full rotational symmetry in condensed matter physics, solids exhibit new excitations beyond Dirac and Weyl fermions, of which the six-fold excitations have attracted considerable interest owing to the presence of the maximum degeneracy in bosonic systems. Here, we propose that a single linear dispersive six-fold excitation can be found in the electride Li$_{12}$Mg$_3$Si$_4$ and its derivatives. The six-fold excitation is formed by the floating bands of elementary band representation -- $A@12a$ -- originating from the excess electrons centered at the vacancies (${\it i.e.}$, the $12a$ Wyckoff sites). There exists a unique topological bulk-surface-edge correspondence for the spinless six-fold excitation, resulting in trivial surface 'Fermi arcs' but nontrivial hinge arcs. All energetically-gapped $k_z$-slices belong to a two-dimensional (2D) higher-order topological insulating phase, which is protected by a combined symmetry ${\mathcal T}{\widetilde S_{4z}}$ and characterized by a quantized fractional corner charge $Q_{corner}=\frac{3|e|}{4}$. Consequently, the hinge arcs are obtained in the hinge spectra of the $\widetilde S_{4z}$-symmetric rod structure. The state with a single six-fold excitation, stabilized by both nonsymmorphic crystalline symmetries and time-reversal symmetry, is located at the phase boundary and can be driven into various topologically distinct phases by explicit breaking of symmetries, making these electrides promising platforms for the systematic studies of different topological phases.

cond-mat.mtrl-sci

Spontaneous Formation of a Superconductor-Topological Insulator-Normal Metal Layered Heterostructure

The discovery of graphene has spurred vigorous investigation of 2D materials, revealing a wide range of extraordinary properties and functionalities. 2D heterostructural materials have recently been fabricated by assembling isolated planes layer-by-layer in a desired sequence. Unusual properties and novel physical phenomena have been unveiled in such layered heterostructures. For example, Hofstadter's butterfly, an intriguing pattern of the energy states of Bloch electrons, was predicted several decades ago to be observable only under unfeasibly strong magnetic fields in conventional materials. But it has been observed recently under current experimental conditions in graphene/BN layered heterostructures, one of the outstanding new kinds of 2D materials. Moreover, another amazing physics phenomenon, Majorana fermions was predicted to exist in heterostructural systems consisting of a superconductor (SC) and a topological insulator (TI) Journal.

cond-mat.mes-hall

Mapping the Dirac fermions in intrinsic antiferromagnetic topological insulators (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ (n=0, 1)

Topological surface states with intrinsic magnetic ordering in the MnBi$_2$Te$_4$(Bi$_2$Te$_3$)$_n$ compounds have been predicted to host rich topological phenomena including quantized anomalous Hall effect and axion insulator state. Here we use scanning tunneling microscopy to image the surface Dirac fermions in MnBi$_2$Te$_4$ and MnBi$_4$Te$_7$. We have determined the energy dispersion and helical spin texture of the surface states through quasiparticle interference patterns far above Dirac energy, which confirms its topological nature. Approaching the Dirac point, the native defects in the MnBi$_2$Te$_4$ septuple layer give rise to resonance states which extend spatially and potentially hinder the detection of a mass gap in the spectra. Our results demonstrate that regulating defects is essential to realize exotic topological states at higher temperatures in these compounds.

cond-mat.mtrl-sci