相关论文: Half-Heusler Topological Insulators: A First-Princ…

In the research of the topological band phases, the conventional wisdom is to start from the crystalline translational symmetry systems. Nevertheless, the translational symmetry is not always a necessary condition for the energy bands. Here…

We present first-principles calculations to predict several three dimensional (3D) topological insulators in quaternary chalcogenide compounds which are made of I$_2$-II-IV-VI$_4$ compositions and in ternary compositions of I$_3$-V-VI$_4$…

We investigate a simplified continuum model of a twisted homotrilayer TMD with negligible next-nearest layer couplings. We systematically analyze band structure and topology of various stacking configurations in a twist angle range from…

Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry. These unique characteristics could pave the way for many…

We present a systematic study of the electronic structure of several prototypical correlated transition-metal oxides: VO2, V2O3, Ti2O3, LaTiO3, and YTiO3. In all these materials, in the low-temperature insulating phases the local and…

Using the fiber bundle concept developed in geometry and topology, the fractionally quantized Hall conductivity is discussed in the relevant many--particle configuration space. Electron-magnetic field and electron-electron interactions…

We compare the ability of four popular hybrid density functionals (B3LYP, B3PW91, HSE, and PBE0) for predicting band gaps of semiconductors and insulators over a large benchmark set using a consistent methodology. We observe no significant…

Bi2Se3 is theoretically predicted1 2and experimentally observed2,3 to be a three dimensional topological insulator. For possible applications, it is important to understand the electronic structure of the planar device. In this work,…

Topology is a central notion in the classification of band insulators and characterization of entangled many-body quantum states. In some cases, it manifests as quantized observables such as quantum Hall conductance. However, being…

Heusler compounds form a numerous class of intermetallics, which include two families of compositions ABC and AB2C, usually referred to as half- and full-Heusler compounds, respectively. Given their tunable electronic properties, made…

We propose the local density approximation (LDA)+Gutzwiller method incorporating Green's function scheme to study the topological physics of correlated materials from the first-principles. Applying this method to typical mixed valence…

The recent discoveries about topological insulators have been promoting theoretical and experimental research. In this dissertation, the basic concepts of topological insulators and the Quantum Hall Effect are reviewed focusing the…

Interfaces between exfoliated topological insulator Bi2Se3 and several transition metals deposited by sputtering were studied by XPS, SIMS, UPS and contact I-V measurements. Chemically clean interfaces can be achieved when coating Bi2Se3…

Hybrid density functional (HDF) approximations usually deliver higher accuracy than local and semilocal approximations to the exchange-correlation functional, but this comes with drastically increased computational cost. Practical…

Band structures of topological insulators are characterized by non-local topological invariants. Consequently, proposals for the experimental detection using local probes are rare. A recent paper [Slager et al., Phys. Rev. B 92, 085126…

The LDA-1/2 method for self-energy correction is a powerful tool for calculating accurate band structures of semiconductors, while keeping the computational load as low as standard LDA. Nevertheless, controversies remain regarding the…

We extend the Becke-Johnson approximation [J. Chem. Phys. 124, 221101 (2006)] of the exchange potential to two dimensions. We prove and demonstrate that a direct extension of the underlying formalism may lead to divergent behavior of the…

At partial filling of a flat band, strong electronic interactions may favor gapped states harboring emergent topology with quantized Hall conductivity. Emergent topological states have been found in partially filled Landau levels and…

A semimagnetic topological insulator -- a heterostructure combining a topological insulator with a ferromagnet -- exhibits a half-quantized Hall effect, characterized by a quantized Hall conductance of $\frac{1}{2}\frac{e^{2}}{h}$ (where…

We discuss a class of three-band non-Abelian topological insulators in three dimensions that carry a single bulk Hopf index protected by spatiotemporal ($\mathcal{PT}$) inversion symmetry. These phases may also host subdimensional…