The electronic structure of bulk ZnX (X = O, S, Se, and Te) under uniaxial strain along the [0001] direction or equibiaxial strain along the (0001) plane is investigated using hybrid density functional theory calculations and many-body perturbation theory. It is shown that compressive uniaxial (or tensile equibiaxial) strains lead to a structural phase transition in all the ZnX systems. This is accompanied by large reductions in the bandgap of ZnSe and ZnTe, spanning the entire visible spectrum.

Topics
Density functional theory, Hybrid density functional calculations, Band gap, Phase transitions, Semiconductors, Visible spectra, Perturbation theory, Metal oxides, Transition metals
© 2012 American Institute of Physics.
2012
American Institute of Physics
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