First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN
Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008 & vol. 2; issue 1, 2009.
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Universiti Malaysia Perlis
2009
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my.unimap-53352009-11-25T08:45:47Z First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN Beloufa, Abbes Bensaad, Zouaoui Soudini, Bel-Abbes Sekkal, Nadir Bensaad, Abdelallah Abid, Hamza Electrical Properties Structural properties Alloys (In, A1, Ga) N LMTO methods Alloys -- Electric properties Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008 & vol. 2; issue 1, 2009. First principles calculations are carried out for A1N, GaN, InN, A1Gan and InGaN in various crystal structures. The computational method used to investigate the structural and the electronic properties is the full potential linear muffin-tin orbital (FP-LMTO) augmented by a plane-wave basis (PLW). Exchange-correlation has been accounted for within LDA using hte exchange-correlation potential calculated by Vosko et al. and Perdew et al. The latter parameterisation takes into consideration the generalized gradient approximation (GGA). The results of the calculated properties for the considered compounds in the zincblende and wurtzite phases are discussed and compared to the theoretical works as well as to the experimental data. We have also applied this computational method to A1GaN and InGaN alloys to check its transferability to predict the structural and electronic properties from those of their parent compounds. 2009-04-06T13:10:29Z 2009-04-06T13:10:29Z 2009 Article International Journal of Nanoelectronics and Materials, vol. 2 (1), 2009, pages 11-22. 1985-5761 (Printed) 1997-4434 (Online) http://hdl.handle.net/123456789/5335 http://www.unimap.edu.my en Universiti Malaysia Perlis |
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Malaysia |
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Universiti Malaysia Perlis |
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| language |
English |
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Electrical Properties Structural properties Alloys (In, A1, Ga) N LMTO methods Alloys -- Electric properties |
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Electrical Properties Structural properties Alloys (In, A1, Ga) N LMTO methods Alloys -- Electric properties Beloufa, Abbes Bensaad, Zouaoui Soudini, Bel-Abbes Sekkal, Nadir Bensaad, Abdelallah Abid, Hamza First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| description |
Link to publisher's homepage at http://www.unimap.edu.my/ ; Open access only applicable for vol. 1; issue 1, 2008 & vol. 2; issue 1, 2009. |
| format |
Article |
| author |
Beloufa, Abbes Bensaad, Zouaoui Soudini, Bel-Abbes Sekkal, Nadir Bensaad, Abdelallah Abid, Hamza |
| author_facet |
Beloufa, Abbes Bensaad, Zouaoui Soudini, Bel-Abbes Sekkal, Nadir Bensaad, Abdelallah Abid, Hamza |
| author_sort |
Beloufa, Abbes |
| title |
First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| title_short |
First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| title_full |
First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| title_fullStr |
First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| title_full_unstemmed |
First-principles calculations of the structural and electronic properties of AIN, GaN, InN, AIGaN and InGaN |
| title_sort |
first-principles calculations of the structural and electronic properties of ain, gan, inn, aigan and ingan |
| publisher |
Universiti Malaysia Perlis |
| publishDate |
2009 |
| url |
http://dspace.unimap.edu.my/xmlui/handle/123456789/5335 |
| _version_ |
1643788364874252288 |