Topological insulators [1-6] is a new quantum phase of matter with exotic properties such as dissipationless transport and protection against Anderson localization [7]. These new states of quantum matter could be one of the missing links for the realization of quantum computing [8,9] and will probably result in new spintronic or magnetoelectric devices. Moreover, topological insulators will be a strong competitor with graphene in electronic application. Because of these potential application the topological insulator research has literally exploded during the last year. Motivated by the fact that up-to-date only few 3D systems are identified to belong to this new quantum phase [10-18] we have used massive computing in combination with data-mining to search for new strong topological insulators. In this letter we present a number of non-layered compounds that show band inversion at the $Γ$-point, a clear signal of a strong topological insulator.
Topological states of matter originate from distinct topological electronic structures of materials. As for strong topological insulators (STIs), the topological surface (interface) is a direct consequence of electronic structure transition between materials categorized to different topological genus. Therefore, it is fundamentally interesting if such topological character can be manipulated. Besides tuning the crystal field and the strength of spin-orbital coupling (e.g., by external strain, or chemical doping), there is currently rare report on topological state induced in ordinary insulator…
A new class of three-dimensional topological insulator, ternary rare earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band structure analysis and the direct calculation of topological surface states, we demonstrate that LaBiTe3 is a topological insulator. La can be substituted by other rare earth elements, which provide candidates for novel topological states such as quantum anomalous Hall insulator, axionic insulator and topological Kondo insulator. Moreover, YBiTe3 and YSbTe3 are found to be normal insulators. They can be used as protecting b…
The conducting states, recently discovered at the surface of two special class of insulators -- topological insulators and topological crystalline insulators - are distinguished by their insensitivity to local and non-magnetic surface defects at a level of disorder, sufficiently small to be described within the perturbation theory. However, the behavior of the surface states in case of non local macroscopic imperfections is not clear. Here, we propose a systematic study of the topological surface states on vicinal planes (deviations from perfect surface cleavage) in a topological crystalline i…
The recent discovery of topological insulators has revived interest in the topological properties of insulating band structures. In this work, we extend the topological classification of insulating band structures to include certain point group symmetry of crystals. We find a class of three-dimensional "topological crystalline insulators" which have metallic surface states on certain high symmetry crystal surfaces. These topological crystalline insulators can be viewed as the counterpart of topological insulators in materials without spin-orbit coupling. Their surface states have quadratic ban…
We study in this paper time-reversal $δ$-impurity scattering effects in the bulk of topological insulators (TI) in two and three dimensions. Specifically we consider how impurity scattering strength is affected by the bulk band structure of topological insulators. An interesting band inversion effect associated with the change of the system from ordinary to topological insulator is pointed out. Experimental consequences of our findings are discussed.
Several proposed applications and exotic effects in topological insulators rely on the presence of helical Dirac states at the interface between a topological and a normal insulator. In the present work, we have used low-energy angle-resolved photoelectron spectroscopy to uncover and characterize the interface states of Bi$_2$Se$_3$ thin films and Bi$_2$Te$_3$/Bi$_2$Se$_3$ heterostuctures grown on Si(111). The results establish that Dirac fermions are indeed present at the topological-normal-insulator boundary and absent at the topological-topological-insulator interface. Moreover, it is demon…
Tuning the spin-orbit coupling strength via foreign element doping and/or modifying bonding strength via strain engineering are the major routes to convert normal insulators to topological insulators. We here propose an alternative strategy to realize topological phase transition by tuning the orbital level. Following this strategy, our first-principles calculations demonstrate that a topological phase transition in some cubic perovskite-type compounds CsGeBr$_3$ and CsSnBr$_3$ could be facilitated by carbon substitutional doping. Such unique topological phase transition predominantly results …
Topological insulators are a novel class of quantum materials in which time-reversal symmetry, relativistic (spin-orbit) effects and an inverted band structure result in electronic metallic states on the surfaces of bulk crystals. These helical states exhibit a Dirac-like energy dispersion across the bulk bandgap, and they are topologically protected. Recent theoretical proposals have suggested the existence of topological crystalline insulators, a novel class of topological insulators in which crystalline symmetry replaces the role of time-reversal symmetry in topological protection [1,2]. In…
The magnetic proximity effect is a fundamental feature of heterostructures composed of layers of topological insulators and magnetic materials since it underlies many potential applications in devices with novel quantum functionality. Within density functional theory we study magnetic proximity effect at the 3D topological insulator/magnetic insulator (TI/MI) interface in Bi$_2$Se$_3$/MnSe(111) system as an example. We demonstrate that a gapped ordinary bound state which spectrum depends on the interface potential arises in the immediate region of the interface. The gapped topological Dirac st…
Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases. However, it is a fundamental challenge to realize quantum transition between Z2 nontrivial topological insulator (TI) and topological crystalline insulator (TCI) in one material because Z2 TI and TCI are hardly both co-exist in a single material due to their contradictory requirement on the number of band inversions. The Z2 TIs must have an odd number of band inver…
Ternary half-Heusler compounds with widely tunable electronic structures, present a new platform to discover topological insulators. Due to time-consuming computations and synthesis procedures, the identification of new topological insulators is however a rough task. Here, we adopt a compressed-sensing approach to rapidly screen potential topological insulators in half-Heusler family, which is realized via a two-dimensional descriptor that only depends on the fundamental properties of the constituent atoms. Beyond the finite training data, the proposed descriptor is employed to screen many new…
We introduce antiferroelectric topological insulators as a new class of functional materials in which an electric field can be used to control topological order and induce topological phase transitions. Using first principles methods, we predict that several alkali-MgBi orthorhombic members of an $ABC$ family of compounds are antiferroelectric topological insulators. We also show that epitaxial strain and hydrostatic pressure can be used to tune the topological order and the band gap of these $ABC$ compounds. Antiferroelectric topological insulators could enable precise control of topology usi…
We have performed ab-initio band structure calculations on more than two thousand half-Heusler compounds in order to search for new candidates for topological insulators. Herein, LiAuS and NaAuS are found to be the strongest topological insulators with the bulk band gap of 0.20 and 0.19 eV, respectively, different from the zero band gap feature reported in other Heusler topological insulators. Due to the inversion asymmetry of the Heusler structure, their topological surface states on the top and bottom surfaces exhibit p-type and n-type carriers, respectively. Thus, these materials may serve …
We propose new topological insulators in cerium filled skutterudite (FS) compounds based on ab initio calculations. We find that two compounds CeOs4As12 and CeOs4Sb12 are zero gap materials with band inversion between Os-d and Ce-f orbitals, which are thus parent compounds of two and three-dimensional topological insulators just like bulk HgTe. At low temperature, both compounds become topological Kondo insulators, which are Kondo insulators in the bulk, but have robust Dirac surface states on the boundary. This new family of topological insulators has two advantages compared to previous ones.…
Helical edge modes are characteristic of topological insulators in two dimensions. This paper demonstrates that helical edge modes remain across transitions to ordinary insulators or to semimetals under certain condition. Straight and zigzag edges are considered in a tight-binding model on square lattice. We focus on the case of indirect gap in bulk topological insulators, and obtain the spectrum of edge modes on both sides of transitions. For straight edge, the helical edge mode in topological insulators with strong particle-hole asymmetry has a reentrant region in momentum space. Edge modes …
Here, we theoretically predict that the series of Pb-based layered chalcogenides, Pb$_n$Bi$_2$Se$_{n+3}$ and Pb$_n$Sb$_2$Te$_{n+3}$, are possible new candidates for topological insulators. As $n$ increases, the phase transition from a topological insulator to a band insulator is found to occur between $n=2$ and 3 for both series. Significantly, among the new topological insulators, we found a bulk band gap of 0.40eV in PbBi$_2$Se$_4$ which is one of the largest gap topological insulators, and that Pb$_2$Sb$_2$Te$_5$ is located in the immediate vicinity of the topological phase boundary, making…
The studies of topological insulators and topological semimetals have been at frontiers of condensed matter physics and material science. Both classes of materials are characterized by robust surface states created by the topology of the bulk band structures and exhibit exotic transport properties. When magnetism is present in topological materials and breaks the time-reversal symmetry, more exotic quantum phenomena can be generated, e.g. quantum anomalous Hall effect, axion insulator, large intrinsic anomalous Hall effect, etc. In this research update, we briefly summarize the recent research…
The discovery of strong topological insulators led to enormous activity in condensed matter physics and the discovery of new types of topological materials. Bisumth based chalcogenides are exemplary strong three dimensional topological insulators that host an odd number of massless Dirac fermionic states on all surfaces. A departure from this notion is the idea of a weak topological insulator, wherein only certain surface terminations host surface states characterized by an even number of Dirac cones leading to exciting new physics. Experimentally however, weak topological insulators have prov…
Topological crystalline insulators are topological insulators whose surface states are protected by the crystalline symmetry, instead of the time reversal symmetry. Similar to the first generation of three-dimensional topological insulators such as Bi2Se3 and Bi2Te3, topological crystalline insulators also possess surface states with exotic electronic properties such as spin-momentum locking and Dirac dispersion. Experimentally verified topological crystalline insulators to date are SnTe, Pb1-xSnxSe, and Pb1-xSnxTe. Because topological protection comes from the crystal symmetry, magnetic impur…
Topological insulators are new states of matter with a bulk gap and robust gapless surface states protected by time-reversal symmetry. When time-reversal symmetry is broken, the surface states are gapped, which induces a topological response of the system to electromagnetic field--the topological magnetoelectric effect. In this paper we study the behavior of topological surface states in heterostructures formed by a topological insulator and a magnetic insulator. Several magnetic insulators with compatible magnetic structure and relatively good lattice matching with topological insulators ${\r…
Topological band insulators have recently been discovered in spin-orbit coupled two and three dimensional systems. In this work, we theoretically predict a class of topological Mott insulators where interaction effects play a dominant role. In actinide elements, simple rocksalt compounds formed by Pu and Am lie on the boundary of metal to insulator transition. We show that interaction drives a quantum phase transition to a topological Mott insulator phase with a single Dirac cone on the surface.
Kondo insulators are particularly simple type of heavy electron material, where a filled band of heavy quasiparticles gives rise to a narrow band insulator. Starting with the Anderson lattice Hamiltonian, we develop a topological classification of emergent band structures for Kondo insulators and show that these materials may host three-dimensional topological insulating phases. We propose a general and practical prescription of calculating the Z_2 strong and weak topological insulator indices for various lattice structures. Experimental implications of the topological Kondo insulating behavio…
Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other three-dimensional topological insulators, a truly insulating bulk state, which is critical for potential applications in next-generation electronic devices, is guaranteed by many-body effects in the topological Kondo insulator. Furthermore, the system has strong electron correlations that can serve as a testbed for interacting topological theories. This topical review focuses on recent advances …
We propose to use ferromagnetic insulator MnBi2Se4/Bi2Se3/antiferromagnetic insulator Mn2Bi2Se5 heterostructures for the realization of the axion insulator state. Importantly, the axion insulator state in such heterostructures only depends on the magnetization of the ferromagnetic insulator and hence can be observed in a wide range of external magnetic field. Using density functional calculations and model Hamiltonian simulations, we find that the top and bottom surfaces have opposite half-quantum Hall conductance, with a sizable global spin gap of 5.1 meV opened for the topological surface st…
The recent discovery of antiferromagnetic (AFM) topological insulator (TI) MnBi$_2$Te$_4$ has triggered great research efforts on exploring novel magnetic topological physics. Based on first-principles calculations, we find that the manipulation of magnetic orientation and order not only significantly affects material symmetries and orbital hybridizations, but also results in variant new magnetic topological phases in MnBi$_2$Te$_4$. We thus predict a series of unusual topological quantum phase transitions that are magnetically controllable in the material, including phase transitions from AFM…
The magnetoelectric effect predicted in topological insulators makes heterostructures that combine magnetic materials and such insulators promising candidates for spintronics applications. Here, we theoretically consider a setup that exhibits two well-separated interfaces between a topological insulator and a ferromagnetic insulator. We show that there is a topological magnetic dipole-dipole interaction stemming from long-range Coulomb interactions. We analytically derive the magnetization dynamics at the two interfaces and discuss how the long-range coupling can be applied to non-locally indu…
We show that a semiconductor thin film can acquire a non-trivial spin texture due to the proximity effect induced by a topological insulator. The effect stems from coupling to the topological surface states and is present even when the insulator is doped. We propose a semiconductor/topological insulator heterostructure as a device that allows measuring interface properties and probing surface states in uncompensated samples. We also find that the topological insulator surface modes can be significantly broadened and shifted by the presence of metallic contacts.
We study roles of electron correlations on topological insulators on the honeycomb lattice with the spin-orbit interaction. Accurate variational Monte Carlo calculations show that the increasing on-site Coulomb interactions cause a strong suppression of the charge Drude weight in the helical-edge metallic states leading to a presumable Mott transition from a conventional topological insulator to an edge Mott insulator before a transition to a bulk antiferromagnetic insulator. The intermediate bulk-topological and edge-Mott-insulator phase has a helical spin-liquid character with the protected …
SmB6 was recently proposed to be both a strong topological insulator and a topological crystalline insulator. For this and related cubic topological Kondo insulators, we prove the existence of four different topological phases, distinguished by the sign of mirror Chern numbers. We characterize these phases in terms of simple observables, and we provide concrete tight-binding models for each phase. Based on theoretical and experimental results for SmB6 we conclude that it realizes the phase with C^+_{k_z=0}=+2, C^+_{k_z=pi}=+1, C^+_{k_x=k_y}=-1, and we propose a corresponding minimal model.
A higher order topological insulator is an extended notion of the conventional topological insulator, which belongs to a special class of topological insulators where the conventional bulk-boundary correspondence is not applicable. The bulk topological index may be described by the Wannier center located at a high symmetry point of the crystal. In this paper we propose minimal models for the second-order topological insulator in two dimensions and the third-order topological insulator in three dimensions. They are anisotropic two-band models with two different hopping parameters. The two-dimen…
We predict a new class of three dimensional topological insulators in thallium-based III-V-VI$_2$ ternary chalcogenides, including TlBiQ$_2$ and TlSbQ$_2$ (Q = Te, Se and S). These topological insulators have robust and simple surface states consisting of a single Dirac cone at the $Γ$ point. The mechanism for topological insulating behavior is elucidated using both first principle calculations and effective field theory models. Remarkably, one topological insulator in this class, TlBiTe$_2$ is also a superconductor when doped with $p$-type carriers. We discuss the possibility that this materi…
We study the magnetic properties of topological insulators doped with isoelectronic magnetic impurities. We obtain that at zero temperature the impurities order ferromagnetically, but when raising the temperature the topological insulator undergoes a first order phase transition to a spin density wave phase before the system reaches the paramagnetic phase. The origin of this phase is the non-trivial dependence of the topological insulator spin susceptibility on the momentum. We analyze the coupling of the non-uniform magnetic phase with the Dirac electronic system that occurs at the surfaces o…
High quality Bi2Te3 and Sb2Te3 topological insulators films were epitaxially grown on GaAs (111) substrate using solid source molecular beam epitaxy. Their growth and behavior on both vicinal and non-vicinal GaAs (111) substrates were investigated by reflection high-energy electron diffraction, atomic force microscopy, x-ray diffraction, and high resolution transmission electron microscopy. It is found that non-vicinal GaAs (111) substrate is better than a vicinal substrate to provide high quality Bi2Te3 and Sb2Te3 films. Hall and magnetoresistance measurements indicate that p type Sb2Te3 and …
Topological insulators are new quantum states with helical gapless edge or surface states inside the bulk band gap.These topological surface states are robust against the weak time-reversal invariant perturbations, such as lattice distortions and non-magnetic impurities. Recently a variety of topological insulators have been predicted by theories, and observed by experiments. First-principles calculations have been widely used to predict topological insulators with great success. In this review, we summarize the current progress in this field from the perspective of first-principles calculatio…
We study theoretically the surface of a topological insulator with a sliding magnetic superlattice coated above. By analyzing time-dependent Dirac equations, the dynamics of the zero mode is investigated. When the superlattice's sliding velocity is smaller (larger) than the Fermi velocity of topological insulator, the zero mode is perfectly (imperfectly) pumped. We also propose the application of this setup, which rectifies currents or generates pulse currents. It would provide a prototype of electronic devices based on topological insulator.
This letter reports the modification of magnetism in a magnetic insulator Y3Fe5O12 thin film by topological surface states (TSS) in an adjacent topological insulator Bi2Se3 thin film. Ferromagnetic resonance measurements show that the TSS in Bi2Se3 produces a perpendicular magnetic anisotropy, results in a decrease in the gyromagnetic ratio, and enhances the damping in Y3Fe5O12. Such TSS-induced changes become more pronounced as the temperature decreases from 300 K to 50 K. These results suggest a completely new approach for control of magnetism in magnetic thin films.
We examine how the properties of the Kondo insulators change when the symmetry of the underlying crystal field multiplets is taken into account. We employ the Anderson lattice model and consider its low-energy physics. We show that in a large class of crystal field configurations, Kondo insulators can develop a topological non-trivial ground-state. Such topological Kondo insulators are adiabatically connected to non-interacting insulators with unphysically large spin-orbit coupling, and as such may be regarded as interaction-driven topological insulators. We analyze the entanglement entropy of…
Introducing magnetism into topological insulators breaks time-reversal symmetry, and the magnetic exchange interaction can open a gap in the otherwise gapless topological surface states. This allows various novel topological quantum states to be generated, including the quantum anomalous Hall effect (QAHE) and axion insulator states. Magnetic doping and magnetic proximity are viewed as being useful means of exploring the interaction between topology and magnetism. However, the inhomogeneity of magnetic doping leads to complicated magnetic ordering and small exchange gaps, and consequently the …
We report a proximity-driven large anomalous Hall effect in all-telluride heterostructures consisting of ferromagnetic insulator Cr2Ge2Te6 and topological insulator (Bi,Sb)2Te3. Despite small magnetization in the (Bi,Sb)2Te3 layer, the anomalous Hall conductivity reaches a large value of 0.2e2/h in accord with a ferromagnetic response of the Cr2Ge2Te6. The results show that the exchange coupling between the surface state of the topological insulator and the proximitized Cr2Ge2Te6 layer is effective and strong enough to open the sizable exchange gap in the surface state.
Topological spintronics aims to exploit the spin-momentum locking in the helical surface states of topological insulators for spin-orbit torque devices. We address a fundamental question that still remains unresolved in this context: does the topological surface state alone produce the largest values of spin-charge conversion efficiency or can the strongly spin-orbit coupled bulk states also contribute significantly? By studying the Fermi level dependence of spin pumping in topological insulator/ferrimagnetic insulator bilayers, we show that the spin Hall conductivity is constant when the Ferm…
It is shown that, contrary to the naive expectation, single particle spectral gaps can be opened on the surface states of three dimensional topological insulators by using commensurate out- and in-plane antiferromagnetic or ferrimagnetic insulating thin films.
Topological insulators are a novel state of matter that share a common feature: their spectral bands are associated with a nonlocal integer-valued index, commonly manifesting through quantized bulk phenomena and robust boundary effects. In this work, we demonstrate using dimensional reduction that high-order topological insulators are descendants from a chiral semimetal in higher dimensions. Specifically, we analyze the descendants of an ancestor four-dimensional Chern insulator in the limit where it becomes chiral and show their relation to two-dimensional second-order topological insulators.…
A second-order topological insulator in $d$ dimensions is an insulator which has no $d-1$ dimensional topological boundary states but has $d-2$ dimensional topological boundary states. It is an extended notion of the conventional topological insulator. Higher-order topological insulators have been investigated in square and cubic lattices. In this paper, we generalize them to breathing Kagome and pyrochlore lattices. First, we construct a second-order topological insulator on the breathing Kagome lattice. Three topological boundary states emerge at the corner of the triangle, realizing a 1/3 f…
We propose a topological order parameter for interacting topological insulators, expressed in terms of the full Green's functions of the interacting system. We show that it is exactly quantized for a time reversal invariant topological insulator, and it can be experimentally measured through the topological magneto-electric effect. This topological order parameter can be applied to both interacting and disordered systems, and used for determining their phase diagrams.
In this review, we discuss recent progress in the explorations of topological materials beyond topological insulators; specifically, we focus on topological crystalline insulators and bulk topological superconductors. The basic concepts, model Hamiltonians, and novel electronic properties of these new topological materials are explained. The key role of symmetries that underlie their topological properties is elucidated. Key issues in their materials realizations are also discussed.
We investigate states on the surface of strong and weak topological insulators and superconductors that have been gapped by a symmetry breaking term. The surface of a strong 3D topological insulator gapped by a magnetic material is well known to possess a half quantum Hall effect. Furthermore, it has been known that the surface of a weak 3D topological insulator gapped by a charge density wave exhibits a half quantum spin Hall effect. To generalize these results to all Altland-Zirnbauer symmetry classes of topological insulators and superconductors, we reproduce the classification table for th…
We report the recent progress on the theoretical aspects of monolayer topological insulators including silicene, germanene and stanene, which are monolayer honeycomb structures of silicon, germanium and tin, respectively. They show quantum spin Hall effects in nature due to the spin orbit interaction. The band gap can be tuned by applying perpendicular electric field, which induces a topological phase transition. We also analyze the topological properties of generic honeycomb systems together with the classification of topological insulators. Phase diagram of topological insulators and superco…
The discovery of the quantum spin Hall effect and topological insulators more than a decade ago has revolutionized modern condensed matter physics. Today, the field of topological states of matter is one of the most active and fruitful research areas for both experimentalists and theorists. The physics of topological insulators is typically well described by band theory and systems of non-interacting fermions. In contrast, several of the most fascinating effects in condensed matter physics merely exist due to electron-electron interactions, examples include unconventional superconductivity, th…
Topological insulators are newly discovered materials with the defining property that any boundary cut into such crystal supports spectrum which is immune to the Anderson localization. The present paper summarizes our efforts on the rigorous characterization of these materials in the regime of weak and strong disorder. In particular, the defining property is rigorously proven under certain relevant conditions, for more than half of the classification table of topological insulators.
In recent years, the role of crystal symmetries in enriching the variety of TIs have been actively investigated. Higher-order TIs are a new type of topological crystalline insulators that exhibit gapless boundary states whose dimensionality is lower than those on the surface of conventional TIs. In this paper, relying on a concrete tight-binding model, we show that higher-order TIs can be smoothly connected to conventional TIs in a lower dimension without the bulk-gap closing or symmetry breaking. Our result supports the understanding of higher- order TIs as a stacking of lower-dimensional TIs…
We predict pseudo topological insulators that have been previously overlooked. We determine some conditions under which robust pseudo topological edge states appear and illustrate our idea on the Su-Schrieffer-Heeger (SSH) model with extra chiral symmetry breaking potentials. We discuss that pseudo topological insulating phase transition occurs without band gap closing.
Topological insulators (TIs) are expected to be a promising platform for novel quantum phenomena, whose experimental realizations require sophisticated devices. In this Technical Review, we discuss four topics of particular interest for TI devices: topological superconductivity, quantum anomalous Hall insulator as a platform for exotic phenomena, spintronic functionalities, and topological mesoscopic physics. We also discuss the present status and technical challenges in TI device fabrications to address new physics.
