Chinese Journal of Physics, ( ISI ), Volume (42), No (5), Year (2004-3) , Pages (619-628)

Title : First – principles study of the Electronic structure of BaTiO3 using Different Approximations ( First – principles study of the Electronic structure of BaTiO3 using Different Approximations )

Authors: Mohammad Hosseini , Nasser Shahtahmassebi ,

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The electronic structure, energy band structure, and density of states (DOS) in paraelectric cubic crystal BaTiO3 are studied by using the full potential-linearized augmented plane wave (FP-LAPW) method in the framework of density functional theory (DFT), with the generalized gradient approximation (GGA). The results show a direct band gap of 1.95 eV at the

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@article{paperid:201460,
author = {Hosseini, Mohammad and Shahtahmassebi, Nasser},
title = {First – principles study of the Electronic structure of BaTiO3 using Different Approximations},
journal = {Chinese Journal of Physics},
year = {2004},
volume = {42},
number = {5},
month = {March},
issn = {0577-9073},
pages = {619--628},
numpages = {9},
keywords = {PACS numbers: 71.15.Mb},
}

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%0 Journal Article
%T First – principles study of the Electronic structure of BaTiO3 using Different Approximations
%A Hosseini, Mohammad
%A Shahtahmassebi, Nasser
%J Chinese Journal of Physics
%@ 0577-9073
%D 2004

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