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Royal Society of Chemistry, Physical Chemistry Chemical Physics

DOI: 10.1039/c6cp00459h

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Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te)

Journal article published in 2016 by M. Grüning ORCID, C. Attaccalite ORCID
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This paper is available in a repository.

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Abstract

We calculated the frequency dependent macroscopic dielectric function and second-harmonic generation of cubic ZnS, ZnSe and ZnTe within time-dependent density-polarisation functional theory.