Calculation of optical properties and electronic structure of BaTiO3

Calculation of optical properties and electronic structure of BaTiO3

  The electronic structure and optical properties in cubic cry stal BaTiO3 are studied using full-potential linearized augmented plane wave (FP-LAPW) method in density functional theory (DFT) with the generalized gradient approximation (GGA) by WIEN2K package. The calculated results of BaTiO3 are in...

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Main Authors: H. Salehi and N Shahtahmasebi and S M Hosseini, N Shahtahmasebi, S M Hosseini
Format: Article
Language:English
Published: Isfahan University of Technology 2005-03-01
Series:Iranian Journal of Physics Research
Subjects:
perovskite
BaTiO3
electronic structure
DFT
FP-LAPW
Online Access:http://ijpr.iut.ac.ir/browse.php?a_code=A-10-1-367&slc_lang=en&sid=1
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spelling doaj-642428c94e7f4f2f86701c211b97ded92020-11-25T01:11:37ZengIsfahan University of TechnologyIranian Journal of Physics Research1682-69572005-03-01514752Calculation of optical properties and electronic structure of BaTiO3H. Salehi and N Shahtahmasebi and S M HosseiniN ShahtahmasebiS M Hosseini  The electronic structure and optical properties in cubic cry stal BaTiO3 are studied using full-potential linearized augmented plane wave (FP-LAPW) method in density functional theory (DFT) with the generalized gradient approximation (GGA) by WIEN2K package. The calculated results of BaTiO3 are in good agreement with other theoretical and experimental results. http://ijpr.iut.ac.ir/browse.php?a_code=A-10-1-367&slc_lang=en&sid=1perovskiteBaTiO3electronic structureDFTFP-LAPW
collection DOAJ
language English
format Article
sources DOAJ
author H. Salehi and N Shahtahmasebi and S M Hosseini
N Shahtahmasebi
S M Hosseini
spellingShingle H. Salehi and N Shahtahmasebi and S M Hosseini
N Shahtahmasebi
S M Hosseini
Calculation of optical properties and electronic structure of BaTiO3
Iranian Journal of Physics Research
perovskite
BaTiO3
electronic structure
DFT
FP-LAPW
author_facet H. Salehi and N Shahtahmasebi and S M Hosseini
N Shahtahmasebi
S M Hosseini
author_sort H. Salehi and N Shahtahmasebi and S M Hosseini
title Calculation of optical properties and electronic structure of BaTiO3
title_short Calculation of optical properties and electronic structure of BaTiO3
title_full Calculation of optical properties and electronic structure of BaTiO3
title_fullStr Calculation of optical properties and electronic structure of BaTiO3
title_full_unstemmed Calculation of optical properties and electronic structure of BaTiO3
title_sort calculation of optical properties and electronic structure of batio3
publisher Isfahan University of Technology
series Iranian Journal of Physics Research
issn 1682-6957
publishDate 2005-03-01
description   The electronic structure and optical properties in cubic cry stal BaTiO3 are studied using full-potential linearized augmented plane wave (FP-LAPW) method in density functional theory (DFT) with the generalized gradient approximation (GGA) by WIEN2K package. The calculated results of BaTiO3 are in good agreement with other theoretical and experimental results.
topic perovskite
BaTiO3
electronic structure
DFT
FP-LAPW
url http://ijpr.iut.ac.ir/browse.php?a_code=A-10-1-367&slc_lang=en&sid=1
work_keys_str_mv AT hsalehiandnshahtahmasebiandsmhosseini calculationofopticalpropertiesandelectronicstructureofbatio3
AT nshahtahmasebi calculationofopticalpropertiesandelectronicstructureofbatio3
AT smhosseini calculationofopticalpropertiesandelectronicstructureofbatio3
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