The effects of surface polarity and dangling bonds on the electronic properties of monolayer and bilayer MoS2 on α-quartz

We investigate the electronic properties of monolayer and bilayer MoS _2 on α -quartz substrate through first-principles density functional calculations. Due to the coupling of the MoS _2 with the substrate, the valence band edge state at the Brillouin zone center tends to shift upward, reducing the...

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Autori principali:	Ha-Jun Sung, Duk-Hyun Choe, K J Chang
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	IOP Publishing 2014-01-01
Serie:	New Journal of Physics
Soggetti:	electronic structure molybdenum disulphide spin-orbit coupling local density functional MoS2 71.15.Mb
Accesso online:	https://doi.org/10.1088/1367-2630/16/11/113055
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