相关论文: Theoretical search for half-Heusler topological in…

In this paper, by first principle calculations, we investigate systematically the band topology of a new half-Heusler family with composition of I(A)-III(A)-IV(A). The results clearly show that many of the I-III-IV half-Heusler compounds…

The discovery of topological insulators (TIs), materials with bulk band gaps and protected cross-gap surface states, in compounds such as Bi2Se3 has generated much interest in identifying topological surface states (TSSs) in other classes…

Ternary semiconducting or metallic half-Heusler compounds with an atomic composition 1:1:1 are widely studied for their flexible electronic properties and functionalities. Recently, a new material property of half-Heusler compounds was…

Theoretically, NaAuS is predicted as topological insulator, while no detail electronic structure study has been done for this compound. Here, we report the structural and electronic properties of NaAuS by using LDA, PBEsol, PBE and revPBE…

Topological insulators and topological semimetals are both new classes of quantum materials, which are characterized by surface states induced by the topology of the bulk band structure. Topological Dirac or Weyl semimetals show linear…

Topological insulators are new states of quantum matter which can not be adiabatically connected to conventional insulators and semiconductors. They are characterized by a full insulating gap in the bulk and gapless edge or surface states…

Topological insulators are new kind of Dirac materials that possess bulk insulating and surface conducting behavior. They are basically known for their unique electronic properties at the surface. Here we present the magneto-transport…

We present theoretical and experimental results exploring a half-Heusler compound TmPdSb with unusual band order and metallic surface states. Typically, the half-Heusler systems exhibit topological features in a semimetallic state, and…

In this letter, we predict the emergence of non-trivial band topology in the family of XX'Bi compounds having $P\overline{6}2m$ (\# 189) space group. Using first principles calculations within hybrid functional framework, we demonstrate…

We employ ab-initio electronic structure calculations to search for spin gapless semiconductors, a recently identified new class of materials, among the inverse Heusler compounds. The occurrence of this property is not accompanied by a…

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…

The Euler class characterizes the topology of two real bands isolated from other bands in two-dimensions. Despite various intriguing topological properties predicted up to now, the candidate real materials hosting electronic Euler bands are…

Topological insulators are new class of materials which are characterized by a bulk band gap like ordinary band insulator but have protected conducting states on their edge or surface. These states emerge out due to the combination of…

We predict a new family of robust two-dimensional (2D) topological insulators in van der Waals heterostructures comprising graphene and chalcogenides BiTeX (X=Cl, Br and I). The layered structures of both constituent materials produce a…

Recent theoretical calculations and photoemission spectroscopy measurements on the bulk Bi2Se3 material show that it is a three-dimensional topological insulator possessing conductive surface states with nondegenerate spins, attractive for…

Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…

The topological band structures of the X2YZ Heusler compounds with the Hg2CuTi structure are investigated by using first-principles calculations within density functional theory. Our results clearly show that a large number of the Hg2CuTi…

We derive and analyze the effective low-energy theory for interacting electrons in a cylindrical nanowire made of a strong topological insulator. Three different approaches provide a consistent picture for the band structure, where surface…

Topological insulators (TI) realize a novel state of quantum matter that are distinguished by topological invariants of bulk band structure rather than spontaneously broken symmetries. A number of exotic quantum phenomena have been…

Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity…