Investigation of band gap effect on Raman shift of scheelite PbWO4 studied by Raman spectrometry and first-principles calculations

被引：3
|
作者：
Suda, Jun [1 ]
机构：
[1] Chukyo Univ, Sch Engn, Dept Elect & Elect Engn, Showa Ku, 101-2 Yagoto Honmachi, Nagoya, Aichi 4668666, Japan
来源：
SOLID STATE COMMUNICATIONS | 2017年 / 255卷
关键词：
TEMPERATURE-DEPENDENCE; PHONON ANHARMONICITY; OPTICAL PHONONS; MODE;
D O I：
10.1016/j.ssc.2017.03.006
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The Raman frequency shifts of the B-g (58 cm(-1)) and Ag (906 cm(-1)) in the PbWO4 were measured in the temperature range from 4 K to 500 K. We found that the frequency shift of A(g) (906 cm(-1)) shows interesting characteristic of positive change with increasing temperature. The temperature dependence of the Raman shift of these modes was analyzed using both the first-principles calculations and lattice perturbative approach. We found that the quartic anharmonic term of the first-order perturbation, as well as the second order one, and thermal expansion contribute to the temperature dependence of the frequency shift of A(g) (906 cm(-1)).
引用
收藏
页码：29 / 32
页数：4
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