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NaAuS chicken-wire-like semiconductor: electronic structure and optical properties

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Main Authors: Ali Hussain, Reshak, Prof. Dr., Saleem Ayaz, Khan, Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr., Jiri Bila
Other Authors: sayaz_usb@yahoo.com
Format: Article
Language:English
Published: Elsevier 2014
Subjects:
Chicken-wire like
Electronic structure
Optical susceptibilities
Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/32758
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id my.unimap-32758
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spelling my.unimap-327582014-03-14T08:49:17Z NaAuS chicken-wire-like semiconductor: electronic structure and optical properties Ali Hussain, Reshak, Prof. Dr. Saleem Ayaz, Khan Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Jiri Bila sayaz_usb@yahoo.com Chicken-wire like Electronic structure Optical susceptibilities Link to publisher's homepage at http://www.elsevier.com The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation, Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au–Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is −0.0005, indicating the strong anisotropy of the dielectric function in the NaAuS a chicken-wire-like semiconductor. 2014-03-14T08:49:17Z 2014-03-14T08:49:17Z 2014-01 Article Journal of Alloys and Compounds, vol.582, 2014, pages 6–11 0925-8388 http://dspace.unimap.edu.my:80/dspace/handle/123456789/32758 http://www.sciencedirect.com/science/article/pii/S0925838813018434 http://dx.doi.org/10.1016/j.jallcom.2013.07.208 en Elsevier
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 Chicken-wire like
Electronic structure
Optical susceptibilities
spellingShingle Chicken-wire like
Electronic structure
Optical susceptibilities
Ali Hussain, Reshak, Prof. Dr.
Saleem Ayaz, Khan
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Jiri Bila
NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
description Link to publisher's homepage at http://www.elsevier.com
author2 sayaz_usb@yahoo.com
author_facet sayaz_usb@yahoo.com
Ali Hussain, Reshak, Prof. Dr.
Saleem Ayaz, Khan
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Jiri Bila
format Article
author Ali Hussain, Reshak, Prof. Dr.
Saleem Ayaz, Khan
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Jiri Bila
author_sort Ali Hussain, Reshak, Prof. Dr.
title NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
title_short NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
title_full NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
title_fullStr NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
title_full_unstemmed NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
title_sort naaus chicken-wire-like semiconductor: electronic structure and optical properties
publisher Elsevier
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/32758
_version_ 1643796976209231872
score 13.222552

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