Indexed by: Journal paper

First Author: Guyue Zhong

Correspondence Author: Gang Xu

Co-author: Q Xie

Journal: SPIN

Included Journals: SCI

Discipline: Science

First-Level Discipline: Physics

Document Type: J

Volume: 9

Issue: 4

Page Number: 1940014

ISSN No.: 2010-3247

Date of Publication: 2019-12-10

Impact Factor: 1.589

Abstract: Based on first-principles calculations, we predict that the monolayer AuTe2Cl is a quantum spin Hall (QSH) insulator with a topological band gap about 10 meV. The three-dimensional (3D) AuTe2Cl is a topological semimetal that can be viewed as the monolayer stacking along axis. By studying the energy-level distribution of orbitals of Te atoms for the bulk and the monolayer, we find that the confinement effect driven band inversion is responsible for the topological nontrivial nature of monolayer. Since 3D bulk AuTe2Cl has already been experimentally synthesized, we expect that monolayer AuTe2Cl can be exfoliated from a bulk sample and the predicted QSH effect can be observed.

Links to published journals: https://www.worldscientific.com/doi/abs/10.1142/s2010324719400149