An ab initio study of the electronic structure of indium and gallium chalcogenide bilayers

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Using first principle calculations, we have studied the structural and electronic properties of two dimensional bilayers of indium and gallium chalcogenides. With density functional theory corrected for van der Waals interactions, the different modes of stacking were investigated in a systematic way, and several of them were found to compete in energy. Then, their band structures were obtained with the GW approximation and found to correspond to indirect bandgap semiconductors with a small dependency on the mode of stacking. Finally, by analysing the electron density, it appeared that GaSe-InS is a promising system for electron-hole separation. Published by AIP Publishing.
Publisher
AMER INST PHYSICS
Issue Date
2017-09
Language
English
Article Type
Article
Keywords

HIGH-PERFORMANCE; LAYERED INSE; GRAPHENE; PHOTODETECTORS; HETEROSTRUCTURES; PHOTORESPONSE; TRANSISTORS; NANOSHEETS; CARBON

Citation

JOURNAL OF CHEMICAL PHYSICS, v.147, no.11

ISSN
0021-9606
DOI
10.1063/1.4997233
URI
http://hdl.handle.net/10203/226420
Appears in Collection
RIMS Journal Papers
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