Density functional theory study of inter-layer coupling in bulk tin selenide

Density functional theory study of inter-layer coupling in bulk tin selenide We study the inter-layer coupling in bulk tin selenide (SnSe) through density functional theory based calculations. Different approximations for the exchange-correlation functionals and the van der Waals interaction are employed. We calculate binding energy, electron density difference and breathing mode between layers, which indicate bulk SnSe has the strongest inter-layer coupling than graphite, bulk MoS2 and black phosphorus. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

Density functional theory study of inter-layer coupling in bulk tin selenide

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.02.013
Publisher site
See Article on Publisher Site

Abstract

We study the inter-layer coupling in bulk tin selenide (SnSe) through density functional theory based calculations. Different approximations for the exchange-correlation functionals and the van der Waals interaction are employed. We calculate binding energy, electron density difference and breathing mode between layers, which indicate bulk SnSe has the strongest inter-layer coupling than graphite, bulk MoS2 and black phosphorus.

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

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