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Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures

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Main Authors: Seddiki, N., Ouahrani, Tarik, Lasri, Boumediene, Benouaz, Tayeb, Ali Hussain, Reshak, Prof. Dr., Bouhafs, Bachir
Other Authors: tarik_ouahrani@yahoo.fr
Format: Article
Language:English
Published: Elsevier Ltd. 2014
Subjects:
Ab initio calculations
Indium-based compounds
Nonlinear optical properties
Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/35870
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spelling my.unimap-358702014-06-25T04:08:58Z Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures Seddiki, N. Ouahrani, Tarik Lasri, Boumediene Benouaz, Tayeb Ali Hussain, Reshak, Prof. Dr. Bouhafs, Bachir tarik_ouahrani@yahoo.fr lasribo@yahoo.fr b_tayeb@yahoo.com maalidph@yahoo.co.uk Bouhafs_ben@yahoo.fr Ab initio calculations Indium-based compounds Nonlinear optical properties Link to publisher's homepage at http://www.sciencedirect.com/ First principles calculations within the density functional theory framework were carried out to calculate electronic structures and dielectric constant predictions of InGaP2 and InAlP2 compounds. We use three arrangements of these compounds: CuAu-I, CuPt and chalcopyrite ones. Different approximations have been dealt with in order to predict valuable bands gaps energy using DFT calculations. Electronics structure results are promising, due to the good agreement with a number of observable physical-chemistry properties. On the other hand, electron localization function and atom in molecule formalisms have been done to give more insight on the bonding properties. Capabilities that exhibit the InAlP2 in its CuAu-I structure, such as the anisotropy and second harmonic generation, make it promising for an intensive optoelectronic application. 2014-06-25T04:08:58Z 2014-06-25T04:08:58Z 2013 Article Materials Science in Semiconductor Processing, vol. 16(6), 2013, pages 1454-1465 1369-8001 http://www.sciencedirect.com/science/article/pii/S1369800113001066 http://dspace.unimap.edu.my:80/dspace/handle/123456789/35870 10.1016/j.mssp.2013.04.006 en Elsevier Ltd.
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 Ab initio calculations
Indium-based compounds
Nonlinear optical properties
spellingShingle Ab initio calculations
Indium-based compounds
Nonlinear optical properties
Seddiki, N.
Ouahrani, Tarik
Lasri, Boumediene
Benouaz, Tayeb
Ali Hussain, Reshak, Prof. Dr.
Bouhafs, Bachir
Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
description Link to publisher's homepage at http://www.sciencedirect.com/
author2 tarik_ouahrani@yahoo.fr
author_facet tarik_ouahrani@yahoo.fr
Seddiki, N.
Ouahrani, Tarik
Lasri, Boumediene
Benouaz, Tayeb
Ali Hussain, Reshak, Prof. Dr.
Bouhafs, Bachir
format Article
author Seddiki, N.
Ouahrani, Tarik
Lasri, Boumediene
Benouaz, Tayeb
Ali Hussain, Reshak, Prof. Dr.
Bouhafs, Bachir
author_sort Seddiki, N.
title Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
title_short Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
title_full Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
title_fullStr Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
title_full_unstemmed Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures
title_sort electronic structure, optical and dielectric constant of compounds indium-based: inalp2, and ingap2 in its chalcopyrite, cupt and cuau-i structures
publisher Elsevier Ltd.
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/35870
_version_ 1643797917179314176
score 13.159267

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