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Topological phase transition in layered GaS and GaSe
Zhiyong Zhu1, Yingchun Cheng, Udo Schwingenschlögl
1Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Kingdom of Saudi Arabia.
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.
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