Modulation of electronic and optical properties of GaTe monolayer by biaxial strain and electric field

Abstract

In this work, the electronic and optical properties of monolayer GaTe under biaxial strain and external electric field were investigated by density functional theory. Our calculated results indicate that the monolayer GaTe is an indirect-semiconductor with an energy gap of 1.41eV at equilibrium. Electronic properties of monolayer GaTe, especially the energy gap, depend greatly on the biaxial strain and external electric field. While the compressive strain slightly increases the energy gap, the tensile strain reduces quite rapidly the energy gap of the monolayer GaTe. In particular, semiconductor–metal phase transition can be observed when the external electric field was introduced. The GaTe monolayer strongly absorbs light in the ultraviolet region and the biaxial strain greatly changes its optical characteristics, especially the compression strain significantly increasing the absorption coefficient of the monolayer. Our results can provide more useful information for the prospect of application of the GaTe monolayer in next-generation optoelectronic devices.