Band engineering of wurtzite-derived semiconductors Cu2ZnSiS4 and Cu2ZnSiSe4

Document Type

Article

Publication Date

1-25-2016

Abstract

The electronic and optical properties of Cu2ZnSiS4 and Cu2ZnSiSe4 in wurtzite-kesterite and wurtzite-stannite structures are studied using first-principles calculations. Optical transitions at high symmetry points between valence bands and conduction bands are discussed. Band structures are presented to analyze other properties. Optical constants and dielectric function spectra are obtained as well, and the variations in the calculated properties between different compounds and structures are discussed in detail by comparing to available experiments.

Identifier

84943599396 (Scopus)

Publication Title

Journal of Alloys and Compounds

External Full Text Location

https://doi.org/10.1016/j.jallcom.2015.09.240

ISSN

09258388

First Page

196

Last Page

199

Volume

656

Grant

21373113

Fund Ref

National Natural Science Foundation of China

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