1210.3309 (Harihar Behera et al.)

Strain-tunable band gap of a monolayer graphene analogue of ZnS
monolayer    [PDF]

Harihar Behera, Gautam Mukhopadhyay

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.

View original: http://arxiv.org/abs/1210.3309