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Title: Electronic and optical properties of BaTiO{sub 3} and SrTiO{sub 3}

Abstract

We have used the linear muffin-tin-orbital method, without geometrical approximations, to calculate the electronic structure of tetragonal BaTiO{sub 3} and cubic SrTiO{sub 3}. Using our self-consistent potential, we have calculated the frequency-dependent dielectric function and the reflectivity spectrum. For tetragonal BaTiO{sub 3} the anisotropic optical properties are calculated. We compare our calculations with experimental data and find good agreement. We analyze the origin of the different calculated features in the optical spectra by means of our energy-band structure. {copyright} 2001 American Institute of Physics.

Authors:
; ;
Publication Date:
Sponsoring Org.:
(US)
OSTI Identifier:
40230546
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 4; Other Information: DOI: 10.1063/1.1384862; Othernumber: JAPIAU000090000004001854000001; 033116JAP; PBD: 15 Aug 2001; Journal ID: ISSN 0021-8979
Publisher:
The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DIELECTRIC MATERIALS; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; ORIGIN; PHYSICS; REFLECTIVITY; SPECTRA

Citation Formats

Ahuja, R, Eriksson, O, and Johansson, B. Electronic and optical properties of BaTiO{sub 3} and SrTiO{sub 3}. United States: N. p., 2001. Web. doi:10.1063/1.1384862.
Ahuja, R, Eriksson, O, & Johansson, B. Electronic and optical properties of BaTiO{sub 3} and SrTiO{sub 3}. United States. https://doi.org/10.1063/1.1384862
Ahuja, R, Eriksson, O, and Johansson, B. 2001. "Electronic and optical properties of BaTiO{sub 3} and SrTiO{sub 3}". United States. https://doi.org/10.1063/1.1384862.
@article{osti_40230546,
title = {Electronic and optical properties of BaTiO{sub 3} and SrTiO{sub 3}},
author = {Ahuja, R and Eriksson, O and Johansson, B},
abstractNote = {We have used the linear muffin-tin-orbital method, without geometrical approximations, to calculate the electronic structure of tetragonal BaTiO{sub 3} and cubic SrTiO{sub 3}. Using our self-consistent potential, we have calculated the frequency-dependent dielectric function and the reflectivity spectrum. For tetragonal BaTiO{sub 3} the anisotropic optical properties are calculated. We compare our calculations with experimental data and find good agreement. We analyze the origin of the different calculated features in the optical spectra by means of our energy-band structure. {copyright} 2001 American Institute of Physics.},
doi = {10.1063/1.1384862},
url = {https://www.osti.gov/biblio/40230546}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 4,
volume = 90,
place = {United States},
year = {Wed Aug 15 00:00:00 EDT 2001},
month = {Wed Aug 15 00:00:00 EDT 2001}
}