Related papers: Band Structure Engineering of Multinary Chalcogeni…
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…
The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…
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…
We propose new topological insulators in hexagonal wurtzite-type binary compounds based on the first principles calculations. It is found that two compounds AgI and AuI are three-dimensional topological insulators with a naturally opened…
By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivatives of Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the body centered…
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$_4$…
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…
Band gap anomaly is a well-known issue in lead chalcogenides PbX (X=S, Se, Te, Po). Combining ab initio calculations and tight-binding (TB) method, we have studied the band evolution in PbX, and found that the band gap anomaly in PbTe is…
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…
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…
The binary Bi-chalchogenides, Bi2Ch3, are widely regarded as model examples of a recently discovered new form of quantum matter, the three-dimensional topological insulator (TI) [1-4]. These compounds host a single spin-helical surface…
We apply a topological material design concept for selecting a bulk topology of 3D crystals by different van-der-Waals stacking of 2D topological insulator layers, and find a bismuth halide Bi4Br2I2 to be an ideal weak topological insulator…
Two-dimensional (2D) topological insulators (TIs) with a large bulk band-gap are promising for experimental studies of the quantum spin Hall effect and for spintronic device applications. Despite considerable theoretical efforts in…
Topological insulators (TIs) represent a new quantum state of matter characterized by robust gapless states inside the insulating bulk gap. The metallic edge states of a two-dimensional (2D) TI, known as quantum spin Hall (QSH) effect, are…
Three-dimensional (3D) topological insulators (TI) are novel quantum materials with insulating bulk and topologically protected metallic surfaces with Dirac-like band structure. The spin-helical Dirac surface states are expected to host…
The unique properties of spin-polarized surface or edge states in topological insulators (TIs) make these quantum coherent systems interesting from the point of view of both fundamental physics and their implementation in low power…
We have performed angle-resolved photoemission spectroscopy on (PbSe)5(Bi2Se3)3m, which forms a natural multilayer heterostructure consisting of a topological insulator (TI) and an ordinary insulator. For m = 2, we observed a gapped…
It is quite intriguing to investigate the transition from a topological insulator (TI) phase to topological crystalline insulator (TCI) phase in a material as the latter has an advantage over the former in controlled device applications.…
Topological insulator (TI) materials are exciting candidates for integration into next-generation memory and logic devices because of their potential for efficient, low-energy-consumption switching of magnetization. Specifically, the family…
Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivial band-structure topology identified by the $Z_2$ number as…