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The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces are considered, and the dependence of charge transfer,…
First principles simulations are conducted to shed light on the question of whether a two-dimensional topological insulator (2DTI) phase may be obtained at the interface between InAs and GaSb. To this end, the InAs/GaSb interface is…
One of the key issues in the physics of topological insulators is whether the topologically non-trivial properties survive at finite temperatures and, if so, whether they disappear only at the temperature of topological gap closing. Here,…
Heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects. We report the results of a first-principles density…
Recently, the topological classification of electronic states has been extended to a new class of matter known as topological crystalline insulators. Similar to topological insulators, topological crystalline insulators also have…
The surface orientation dependence on the hydrogen evolution reaction (HER) performance of topological crystalline insulator (TCI) SnTe thin films is studied. Their intrinsic activities are determined by linear sweep voltammetry and cyclic…
We report an experimental study of electron transport properties of MnSe/(Bi,Sb)2Te3 heterostructures, in which MnSe is an antiferromagnetic insulator, and (Bi,Sb)2Te3 is a three-dimensional topological insulator (TI). Strong magnetic…
We investigate a magnetic proximity effect on Dirac surface states of topological insulator (TI) induced by a Bi$_2$Se$_3$/EuS interface, using density-functional theory (DFT) and a low-energy effective model, motivated by a recent…
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.…
The antiferromagnetic (AFM) topological insulator MnBi$_{2}$Te$_{4}$ was believed to have a topological surface state (TSS) with large band gap due to the ferromagnetic (FM) order on the surface, and be able to host the long-sought axion…
Both experimental and theoretical studies show non-trivial topological behaviour in native rocksalt phase for SnS and SnSe and categorize these materials in topological crystalline insulators. Here, the detailed electronic structures…
We study the proximity effect between the fully-gapped region of a topological insulator in direct contact with an s-wave superconducting electrode (STI) and the surrounding topological insulator flake (TI) in…
SnTe is a prototypical topological crystalline insulator, in which the gapless surface state is protected by a crystal symmetry. The hallmark of the topological properties in SnTe is the Dirac cones projected to the surfaces with mirror…
Enhanced magnetism has recently been reported for the topological-insulator/ferromagnet interface Bi$_2$Se$_3$/EuS with Curie temperatures claimed to be raised above room temperature from the bulk EuS value of 16 K. Here we investigate the…
Stoichiometric SnTe is theoretically a small gap semiconductor that undergoes a ferroelectric distortion on cooling. In reality however, crystals are always non-stoichiometric and metallic; the ferroelectric transition is therefore more…
Magnetic topological insulators and their heterostructures provide great opportunities in coupling band topology with nontrivial spin configuration for enhanced spintronic device performance as well as designing totally new magnetoelectric…
We report thermoelectric (TE) properties of topological surface Dirac states (TSDS) in three-dimensional topological insulators (3D-TIs) purely isolated from the bulk by employing single crystal Bi$_{2-x}$Sb$_x$Te$_{3-y}$Se$_y$ films…
We present a first-principles study of the electronic and magnetic properties of epitaxial interfaces between the Heusler compounds Ti$_2$MnIn and Ni$_2$MnIn and the III-V semiconductors, InSb and InAs, respectively. We use density…
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized…
Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT) and topological properties of layered magnetic compound MnSb2Te4. It has the similar crystal…