NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
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2014
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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 |
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English |
| topic |
Chicken-wire like Electronic structure Optical susceptibilities |
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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 |
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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 |
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1643796976209231872 |