First-principles study of optical properties of SrZrO3 in cubic phase

被引：57
作者：
Feng, Zhenbao
Hu, Haiquan
Cui, Shouxin
Bai, Chenglin
机构：
[1] School of Physics Science and Information Technology, Liaocheng University
来源：
SOLID STATE COMMUNICATIONS | 2008年 / 148卷 / 9-10期
关键词：
SrZrO3; Electronic structure; FP-LAPW plus lo; Optical properties;
D O I：
10.1016/j.ssc.2008.08.030
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The optical properties in the core-level spectra of cubic SrZrO3 are calculated by using the full potential linearized augmented plane wave plus local orbitals method. The calculated lattice parameters are in good agreement with the experimental data. The complex dielectric function, reflectivity, absorption coefficient and real part of the optical conductivity are calculated. Furthermore, using the calculated band structure together with the density of states we have analyzed the interband contribution to the optical properties of cubic SrZrO3. (c) 2008 Elsevier Ltd. All rights reserved.
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收藏
页码：472 / 475
页数：4
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