Strain-tunable band gap of a monolayer graphene analogue of ZnS monolayer
arXiv:1210.3309
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.
Presented in the 20th International Conference on Composites/Nano-Engineering (ICCE-20), 22-28 July 2012, Beijing, China. 2 pages, 3 figures