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

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Bibliographic Details
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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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
score 13.211869

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