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...
Saved in:
Main Authors: | , |
---|---|
Format: | Conference or Workshop Item |
Language: | English |
Published: |
2014
|
Subjects: | |
Online Access: | http://eprints.utm.my/id/eprint/61492/1/MohammadAlamSaeed2014_StructuralElectronicandOpticalProperties.pdf http://eprints.utm.my/id/eprint/61492/ |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Universiti Teknologi Malaysia |
Language: | English |
id |
my.utm.61492 |
---|---|
record_format |
eprints |
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/ |
_version_ |
1643655182385414144 |