The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4

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Main Authors:	Ali Hussain, Reshak, Prof. Dr., Sikander, Azam
Other Authors:	sikander.physicst@gmail.com
Format:	Article
Language:	English
Published:	Springer Berlin Heidelberg 2014
Subjects:	Semiconductor Ag2ZnSiS4 Semiconductor Ag2ZnSiS4
Online Access:	http://dspace.unimap.edu.my:80/dspace/handle/123456789/36065
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Institution:	Universiti Malaysia Perlis
Language:	English

id	my.unimap-36065
record_format	dspace
spelling	my.unimap-360652014-07-07T04:33:47Z The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4 Ali Hussain, Reshak, Prof. Dr. Sikander, Azam sikander.physicst@gmail.com Semiconductor Ag2ZnSiS4 Semiconductor Ag2ZnSiS4 Link to publisher's homepage at http://link.springer.com The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4 compound with the monoclinic structure have been investigated using a full-relativistic version of the full-potential augmented plane-wave method based on the density functional theory, within local density approximation (LDA), generalized gradient approximation (GGA), Engel–Vosko GGA (EVGGA) and modified Becke Johnson (mBJ) potential. Band structures divulge that this compound is a direct energy band gap semiconductor. The obtained energy band gap value using mBJ is larger than those obtained within LDA, GGA and EVGGA. There is a strong hybridization between Si-s and S-s/p, Si-p and Zn-s, Ag-s/p and Zn-s, and Ag-s and Ag-p states. The analysis of the site and momentum-projected densities shows that the bonding possesses covalent nature. The dielectric optical properties were also calculated and discussed in detail. 2014-07-07T04:33:47Z 2014-07-07T04:33:47Z 2013-11 Article Applied Physics A, volume 116 (1), 2014, pages 333-340 0947-8396 (print) 1432-0630 (online) http://dspace.unimap.edu.my:80/dspace/handle/123456789/36065 http://link.springer.com/article/10.1007%2Fs00339-013-8126-0 10.1007/s00339-013-8126-0 en Springer Berlin Heidelberg
institution	Universiti Malaysia Perlis
building	UniMAP Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Malaysia Perlis
content_source	UniMAP Library Digital Repository
url_provider	http://dspace.unimap.edu.my/
language	English
topic	Semiconductor Ag2ZnSiS4 Semiconductor Ag2ZnSiS4
spellingShingle	Semiconductor Ag2ZnSiS4 Semiconductor Ag2ZnSiS4 Ali Hussain, Reshak, Prof. Dr. Sikander, Azam The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
description	Link to publisher's homepage at http://link.springer.com
author2	sikander.physicst@gmail.com
author_facet	sikander.physicst@gmail.com Ali Hussain, Reshak, Prof. Dr. Sikander, Azam
format	Article
author	Ali Hussain, Reshak, Prof. Dr. Sikander, Azam
author_sort	Ali Hussain, Reshak, Prof. Dr.
title	The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
title_short	The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
title_full	The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
title_fullStr	The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
title_full_unstemmed	The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
title_sort	electronic structure, electronic charge density and optical properties of the diamond-like semiconductor ag2znsis4
publisher	Springer Berlin Heidelberg
publishDate	2014
url	http://dspace.unimap.edu.my:80/dspace/handle/123456789/36065
_version_	1643798000384868352

The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4

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