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 [Formula: see text] axis. By studying the energy-level distribution of [Formula: see text] orbitals of Te atoms for the bulk and the monolayer, we find that the confinement effect driven [Formula: see text] 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.
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