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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 20(19), p. 13333-13340

DOI: 10.1039/c7cp00012j

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Tuning the electronic properties of monolayer and bilayer transition metal dichalcogenide compounds under direct out-of-plane compression

Journal article published in 2017 by Ángel Morales García ORCID, Elena del Corro, Martin Kalbac, Otakar Frank ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The band-gap modulation semiconducting MX2 compounds (M = Mo or W, X = S or Se) under direct out-of-plane compression is systematically studied by means of the density functional theory formalism including spin–orbit coupling and dispersion correction.