Related papers: Topological Insulators in Hexagonal Wurtzite-type …
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$_4$…
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…
Topological insulators (TIs) have been found in strained binary HgTe and ternary I-III-VI2 chalcopyrite compounds such as CuTlSe2 which have inverted band structures. However, the non-trivial band gaps of these existing binary and ternary…
Using ab initio electronic structure calculations we investigate the change of the band structure and the nu_0 topological invariant in HgSe (non-centrosymmetric system) under two different type of uniaxial strain along the [001] and [110]…
We predict a new class of three-dimensional topological insulators (TIs) in which the spin-orbit coupling (SOC) can more effectively generate a large band gap at $\Gamma$ point. The band gap of conventional TI such as Bi$_2$Se$_3$ is mainly…
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…
By using angle-resolved photoemission spectroscopy combined with first-principles calculations, we reveal that the topmost unit cell of ZrSnTe crystal hosts two-dimensional (2D) electronic bands of topological insulator (TI) state, though…
One of the most exciting subjects in solid state physics is a single layer of graphite which exhibits a variety of unconventional novel properties. The key feature of its electronic structure are linear dispersive bands which cross in a…
Topological insulators are a class of band insulators with non-trivial topology, a result of band inversion due to the strong spin-orbit coupling. The transition between topological and normal insulator can be realized by tuning the…
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…
The opening of a band gap due to compressive uniaxial strain renders bulk HgTe a strong three-dimensional topological insulators with protected gapless surface states at any surface. By employing a six-band k.p model, we determine the spin…
Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insulators (3DTI). We demonstrate that the…
Skutterudites, a class of materials with cage-like crystal structure which have received considerable research interest in recent years, are the breeding ground of several unusual phenomena such as heavy fermion superconductivity,…
The search for inversion asymmetric topological insulators (IATIs) persists as an effect for realizing new topological phenomena. However, so for only a few IATIs have been discovered and there is no IATI exhibiting a large band gap…
We prove the existence of higher-order topological insulators in: {\it i}) fourfold rotoinversion invariant bulk crystals, and {\it ii}) inversion-symmetric systems with or without an additional three-fold rotation symmetry. These states of…
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…
Employing ab initio electronic calculations, we propose a new type of two-dimensional (2D) topological insulator (TI), monolayer (ML) low buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gaps. Monolayer…
Based on density functional theory (DFT), we investigate the electronic properties of bulk and single-layer ZrTe$_4$Se. The band structure of bulk ZrTe$_4$Se can produce a semimetal-to-topological insulator (TI) phase transition under…
From the analysis of the cyclotron resonance, we experimentally obtain the band structure of the three-dimensional topological insulator based on a HgTe thin film. Top gating was used to shift the Fermi level in the film, allowing us to…
Ternary tetradymites Bi2Te2S, Bi2Te2Se and Bi2Se2Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI pz orbitals. We identify Bi2Se2Te as a good candidate to study massive Dirac…