Topological phase transition in layered GaS and GaSe

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-dimen...

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Published in:Physical review letters 2012-06, Vol.108 (26), p.266805-266805, Article 266805
Main Authors: Zhu, Zhiyong, Cheng, Yingchun, Schwingenschlögl, Udo
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description 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.
doi_str_mv 10.1103/PhysRevLett.108.266805
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title Topological phase transition in layered GaS and GaSe
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