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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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Main Authors: Beloufa, Abbes, Bensaad, Zouaoui, Soudini, Bel-Abbes, Sekkal, Nadir, Bensaad, Abdelallah, Abid, Hamza
Format: Article
Language:English
Published: Universiti Malaysia Perlis 2009
Subjects:
Electrical Properties
Structural properties
Alloys
(In, A1, Ga) N
LMTO methods
Alloys > Electric properties
Online Access:http://dspace.unimap.edu.my/xmlui/handle/123456789/5335
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spelling 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
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 Electrical Properties
Structural properties
Alloys
(In, A1, Ga) N
LMTO methods
Alloys -- Electric properties
spellingShingle 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
score 13.18916

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