Electronic and optical properties of BaTiO3 and SrTiO3

被引：34
作者：
Ahuja, R
Eriksson, O
Johansson, B
机构：
[1] Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
[2] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
来源：
JOURNAL OF APPLIED PHYSICS | 2001年 / 90卷 / 04期
关键词：
D O I：
10.1063/1.1384862
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have used the linear muffin-tin-orbital method, without geometrical approximations, to calculate the electronic structure of tetragonal BaTiO3 and cubic SrTiO3. Using our self-consistent potential, we have calculated the frequency-dependent dielectric function and the reflectivity spectrum. For tetragonal BaTiO3 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. (C) 2001 American Institute of Physics.
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页码：1854 / 1859
页数：6
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