Related papers: Band Structure Engineering of Multinary Chalcogeni…
Among the quasi one-dimensional transition metal tetrachalcogenides (MSe$_4$)$_n$I (M=Nb,Ta), the $n=3$ compounds are the only ones not displaying charge density waves. Instead, they show structural transitions with puzzling transport…
The study of topological quantum materials for enhanced thermoelectric energy conversion has received significant attention recently. Topological materials (including topological insulators and Dirac/Weyl/nodal-line semi-metals) with unique…
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…
Although many possible two-dimensional (2D) topological insulators (TIs) have been predicted in recent years, there is still lack of experimentally realizable 2D TI. Through first-principles and tight-binding simulations, we found an…
The exploration of novel topological insulators (TIs) beyond binary chalcogenides has been accelerated in pursuit of exotic quantum states and device applications. Here, the layered ternary chalcogenide Ge2Bi2Te5 is identified as a…
Quantum spin Hall (QSH) effect is promising for achieving dissipationless transport devices due to the robust gapless states inside insulating bulk gap. Here, by using first-principles calculations, we discover group-IV chalcogenide Si2Te2…
Commonly materials are classified as either electrical conductors or insulators. The theoretical discovery of topological insulators (TIs) in 2005 has fundamentally challenged this dichotomy. In a TI, spin-orbit interaction generates a…
Topological insulators (TIs) are a recently discovered class of quantum materials that are currently attracting considerable attention. The most interesting aspect of the TIs is, in fact, not that they are bulk insulators but that their…
The past decade's apparent success in predicting and experimentally discovering distinct classes of topological insulators (TIs) and semimetals masks a fundamental shortcoming: out of 200,000 stoichiometric compounds extant in material…
Despite the rapid progress in understanding the first intrinsic magnetic topological insulator MnBi$_2$Te$_4$, its electronic structure remains a topic under debates. Here we perform a thorough spectroscopic investigation into the…
Non-invasive local probes are needed to characterize bulk defects in binary and ternary chalcogenides. These defects contribute to the non-ideal behavior of topological insulators. We have studied bulk electronic properties via $^{125}$Te…
Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…
Stable oxide topological insulators (TIs) that could bring together the traditional oxide functionalities with the dissipationless surface states of TIs have been sought for years but none was found. Yet, heavier chalcogenides (selenides,…
Combinations of non-trivial band topology and long-range magnetic order hold promise for realizations of novel spintronic phenomena, such as the quantum anomalous Hall effect and the topological magnetoelectric effect. Following theoretical…
Surface states of topological insulators (TIs) have been playing the central role in the majority of outstanding investigations in low-dimensional electron systems for more than 10 years. TIs based on high-quality strained HgTe films…
We have studied the structural and electronic properties of defect chalcopyrite semiconductors AAl2Se4 (A = Ag, Cu, Cd, Zn) using Density Functional Theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital…
Topological materials have been discovered so far largely by searching for existing compounds in crystallographic databases, but there are potentially new topological materials with desirable features that have not been synthesized. One of…
The existence of gapless Dirac surface band of a three dimensional (3D) topological insulator (TI) is guaranteed by the non-trivial topological character of the bulk band, yet the surface band dispersion is mainly determined by the…
We report the structural and electronic properties of chalcopyrite semiconductors CuInSe2, CuIn2 Se4 and Cu0.5Li0.5InSe2. Our calculation is based on Density functional Theory within tight binding linear muffin-tin orbital (TB-LMTO) method.…
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…