Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles

The physical properties of defect chalcopyrite compounds are discussed here. Initial study are carried out under the framework of density functional theory by keeping in view the device manufacturing characteristics relating to structure, energy band configuration and bonding nature of the selected...

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Main Authors: Osman, Norhaslinda, Saeed, Mohamad Alam
Format: Conference or Workshop Item
Language:English
Published: 2014
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Online Access:http://eprints.utm.my/id/eprint/61492/1/MohammadAlamSaeed2014_StructuralElectronicandOpticalProperties.pdf
http://eprints.utm.my/id/eprint/61492/
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Institution: Universiti Teknologi Malaysia
Language: English
id my.utm.61492
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spelling my.utm.614922017-04-25T08:36:53Z http://eprints.utm.my/id/eprint/61492/ Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles Osman, Norhaslinda Saeed, Mohamad Alam QC Physics The physical properties of defect chalcopyrite compounds are discussed here. Initial study are carried out under the framework of density functional theory by keeping in view the device manufacturing characteristics relating to structure, energy band configuration and bonding nature of the selected PbGa2S4 and HgGa2S4 defect chalcopyrite compounds. The computational work are executed using highly accurate full potential linearized-augmented plane wave + local orbital approach through the latest edition of Wien2k software. In a next step, the electronic properties of PbGa2S4 and HgGa2S4 defect chalcopyrite compounds are investigated. Precise band gap are calculated by employing GGA and LDA techniques. This work provided a comprehensive theoretical study of the physical properties with special emphasis on structural and electronic properties of defect chalcopyrite compounds. 2014 Conference or Workshop Item PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/61492/1/MohammadAlamSaeed2014_StructuralElectronicandOpticalProperties.pdf Osman, Norhaslinda and Saeed, Mohamad Alam (2014) Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles. In: Second International Science Postgraduate Conference 2014, 10-12 Mac, 2014, Skudai, Johor.
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
language English
topic QC Physics
spellingShingle QC Physics
Osman, Norhaslinda
Saeed, Mohamad Alam
Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
description The physical properties of defect chalcopyrite compounds are discussed here. Initial study are carried out under the framework of density functional theory by keeping in view the device manufacturing characteristics relating to structure, energy band configuration and bonding nature of the selected PbGa2S4 and HgGa2S4 defect chalcopyrite compounds. The computational work are executed using highly accurate full potential linearized-augmented plane wave + local orbital approach through the latest edition of Wien2k software. In a next step, the electronic properties of PbGa2S4 and HgGa2S4 defect chalcopyrite compounds are investigated. Precise band gap are calculated by employing GGA and LDA techniques. This work provided a comprehensive theoretical study of the physical properties with special emphasis on structural and electronic properties of defect chalcopyrite compounds.
format Conference or Workshop Item
author Osman, Norhaslinda
Saeed, Mohamad Alam
author_facet Osman, Norhaslinda
Saeed, Mohamad Alam
author_sort Osman, Norhaslinda
title Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
title_short Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
title_full Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
title_fullStr Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
title_full_unstemmed Structural, electronic and optical properties of defect chalcopyrite CdGa2S4 and HgGa2S4 compounds by first principles
title_sort structural, electronic and optical properties of defect chalcopyrite cdga2s4 and hgga2s4 compounds by first principles
publishDate 2014
url http://eprints.utm.my/id/eprint/61492/1/MohammadAlamSaeed2014_StructuralElectronicandOpticalProperties.pdf
http://eprints.utm.my/id/eprint/61492/
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