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arXiv · 1210.3309

Strain-tunable band gap of a monolayer graphene analogue of ZnS monolayer

Harihar Behera·Gautam Mukhopadhyay
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Abstract

Using first-principles full-potential density functional calculations, we predict that mechanically tunable band-gap is realizable in ZnS monolayer in graphene-like honeycomb structure by application of in-plane homogeneous biaxial strain. A transition point from direct-to-indirect gap-phase is predicted to exist for biaxial tensile strain lying in the interval (2.645%, 3.171%). In the two gap-phases, the band gap decreases with increasing strain and varies linearly with strain.

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Harihar Behera, Gautam Mukhopadhyay. 2012-10-10. Strain-tunable band gap of a monolayer graphene analogue of ZnS monolayer. https://arxiv.org/abs/1210.3309

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