The electronic structure and elastic property of monolayer and bilayer transition metal dichalcogenides MX$_2$ (M=Mo,W;X=O,S,Se,Te): A comparative first-principles study. (arXiv:1505.01640v1 [cond-mat.mtrl-sci])

By Fan Zeng, Wei-Bing Zhang, Bi-Yu Tang First-principle calculations with different exchange-correlation functionals,
including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been
performed to investigate the electronic and elastic properties of two
dimensional transition metal dichalcogenides(TMDCs) with the formula of
MX$_2$(M=Mo,W; X=O,S,Se,Te) in both monolayer and bilayer structures. The
calculated band structures show a direct band gap for monolayer …read more

Published in: arXiv Material Science

[/fusion_builder_column][/fusion_builder_row][/fusion_builder_container]