Topological Phase Transition in Layered GaS and GaSe

Zhiyong Zhu, Yingchun Cheng, Udo Schwingenschlögl

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88 Scopus citations

Abstract

By fully relativistic first principles calculations, we predict that appropriate strain engineering of layered GaX (X=S, Se) leads to a new class of three-dimensional topological insulators with an excitation gap of up to 135 meV. Our results provide a new perspective on the formation of three-dimensional topological insulators. Band inversion can be induced by strain only, without considering any spin-orbit coupling. The latter, however, is indispensable for the formation of local band gaps at the crossing points of the inverted bands. Our study indicates that three-dimensional topological insulators can also be realized in materials which comprise light elements only.
Original languageEnglish (US)
JournalPhysical Review Letters
Volume108
Issue number26
DOIs
StatePublished - Jun 29 2012

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