Lattice dynamics and optical properties of yttrium oxysulfide

被引:14
|
作者
Mikami, M
Nakamura, S
Itoh, M
Nakajima, K
Shishido, T
机构
[1] Mitsubishi Chem Corp, MCC, Sci & Technol Grp, Res Ctr,Aoba Ku, Yokohama, Kanagawa 2278502, Japan
[2] Shinshu Univ, Dept Elect & Elect Engn, Nagano 3808553, Japan
[3] Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan
关键词
oxysulfide; phonon modes; dielectric permittivity; scintillation;
D O I
10.1016/S0022-2313(02)00545-8
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Lattice dynamics and optical properties of yttrium oxysulfide have been investigated with the combination of microscopic Raman scattering experiment and first-principles calculation. The Raman scattering experiment on our single crystals ensures an earlier Raman spectrum based on powdered samples. Ab initio calculation based on density-functional perturbation theory is performed to obtain the phonon modes in the first Brillouin zone, dielectric and Born effective charge tensors in the uniaxial crystal structure. A rigorous assignment of all the phonon modes at F-point is achieved, in agreement with the previous and present Raman experimental data. The calculated results also indicate the ambiguity of infra-red experimental results on oxysulfides. Since these physical values are related to the properties of polaron, our theoretical approach may be useful to understand optoelectronic processes such as scintillation. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:7 / 12
页数:6
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