First-principles study of cubic BxGa1-xN alloys
Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008.
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Universiti Malaysia Perlis
2008
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my.unimap-23682008-10-18T03:27:58Z First-principles study of cubic BxGa1-xN alloys Lachebi, A. Abid, H. Driz, M. Al-Douri, Y. Structural properties Electronic properties FP-LAPW Alloys Ternary alloys Semiconductors Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008. We present first-principles calculations of the structural and electronic properties of cubic for different concentrations x of ternary alloy BxGa1-x N. The computational method is based on the full-potential linearized augmented plane wave method (FP-LAPW). The exchange and correlation energy is described in the local density approximation (LDA) and generalized gradient approximation (GGA). We have investigated the effect of composition on the ground state properties, lattice parameters, bulk modulus, pressure derivative and band gap of the zinc blend BN, GaN. The results obtained are in a good agreement with experimental and theoretical values concerning the variation of the gaps and crossover direct, indirect band gap and the bowing parameter. A reasonable agreement is found from the comparison of our results with other theoretical calculations. 2008-10-10T03:31:23Z 2008-10-10T03:31:23Z 2008 Article International Journal of Nanoelectronics and Materials, vol. 1 (1), 2008, pages 81-90. 1985-5761 (Printed) 1997-4434 (Online) http://www.unimap.edu.my http://hdl.handle.net/123456789/2368 en Universiti Malaysia Perlis |
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Asia |
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Malaysia |
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Universiti Malaysia Perlis |
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http://dspace.unimap.edu.my/ |
| language |
English |
| topic |
Structural properties Electronic properties FP-LAPW Alloys Ternary alloys Semiconductors |
| spellingShingle |
Structural properties Electronic properties FP-LAPW Alloys Ternary alloys Semiconductors Lachebi, A. Abid, H. Driz, M. Al-Douri, Y. First-principles study of cubic BxGa1-xN alloys |
| description |
Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008. |
| format |
Article |
| author |
Lachebi, A. Abid, H. Driz, M. Al-Douri, Y. |
| author_facet |
Lachebi, A. Abid, H. Driz, M. Al-Douri, Y. |
| author_sort |
Lachebi, A. |
| title |
First-principles study of cubic BxGa1-xN alloys |
| title_short |
First-principles study of cubic BxGa1-xN alloys |
| title_full |
First-principles study of cubic BxGa1-xN alloys |
| title_fullStr |
First-principles study of cubic BxGa1-xN alloys |
| title_full_unstemmed |
First-principles study of cubic BxGa1-xN alloys |
| title_sort |
first-principles study of cubic bxga1-xn alloys |
| publisher |
Universiti Malaysia Perlis |
| publishDate |
2008 |
| url |
http://dspace.unimap.edu.my/xmlui/handle/123456789/2368 |
| _version_ |
1643787589968199680 |
| score |
13.222552 |