The Electronic Band Structure and Linear Optical Properties of Bilayer MoS₂ and MoSe<sub>2</SUB>

Abstract

We have performed first principle pseudopotential calculations of the electronic band structure and linear optical properties of bilayer MoSe₂ and MoSe₂ using density functional-Hartree-Fock theory. Our results reveal that both bilayer MoS₂ and MoSe₂ are semiconductors with direct band gap. The optical spectra for both materials are similar and they show the two major excitonic transition which is a feature of M-CH₂.

Journal of the Nigerian Association of Mathematical Physics, Volume 20 (March, 2012), pp 293 – 300