Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys
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2014
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my.unimap-311932014-01-14T13:09:57Z Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys Ali Hussain, Reshak, Prof. Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Auluck, Sushil, Dr. maalidph@yahoo.co.uk kamarudin@unimap.edu.my sauluck@iitk.ac.in GaAs1−xBix alloys Bismuth-containing semiconductors DFT FPLAPW Link to publisher's homepage at http://www.elsevier.com/ The structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the generalized gradient approximation (GGA) and the EngelVosko generalized gradient approximation (EV-GGA). The lattice constant, bulk modulus, derivative of bulk modulus and energy gap vary with bismuth concentration nonlinearly. The present calculations show that the band gap decreases substantially with increasing bismuth concentration and that spinorbit coupling influences the nature of bonding at high Bi concentrations. 2014-01-14T13:09:57Z 2014-01-14T13:09:57Z 2012-02 Article Journal of Solid State Chemistry, vol. 186, 2012, pages 47-53 0022-4596 http://www.sciencedirect.com/science/article/pii/S0022459611006219 http://dspace.unimap.edu.my:80/dspace/handle/123456789/31193 en Elsevier Inc. |
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GaAs1−xBix alloys Bismuth-containing semiconductors DFT FPLAPW |
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GaAs1−xBix alloys Bismuth-containing semiconductors DFT FPLAPW Ali Hussain, Reshak, Prof. Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Auluck, Sushil, Dr. Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
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Link to publisher's homepage at http://www.elsevier.com/ |
| author2 |
maalidph@yahoo.co.uk |
| author_facet |
maalidph@yahoo.co.uk Ali Hussain, Reshak, Prof. Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Auluck, Sushil, Dr. |
| format |
Article |
| author |
Ali Hussain, Reshak, Prof. Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Auluck, Sushil, Dr. |
| author_sort |
Ali Hussain, Reshak, Prof. Dr. |
| title |
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
| title_short |
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
| title_full |
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
| title_fullStr |
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
| title_full_unstemmed |
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys |
| title_sort |
bismuth in gallium arsenide: structural and electronic properties of gaas 1-xbi x alloys |
| publisher |
Elsevier Inc. |
| publishDate |
2014 |
| url |
http://dspace.unimap.edu.my:80/dspace/handle/123456789/31193 |
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1643796496548626432 |