Vibrational spectra of lead tetraborate: experimental and theoretical analysis

被引：9
|
作者：
Wang, Yufang [1 ]
Feng, Min
Wang, Hui
Fu, Peizhen
Wang, Junxin
Cao, Xuewei
Lan, Guoxiang
机构：
[1] Nankai Univ, Dept Phys, Tianjin 300071, Peoples R China
[2] Chinese Acad Sci, Beijing Ctr Crystal Res & Dev, Tech Inst Phys & Chem, Beijing 100080, Peoples R China
[3] Univ Sci & Technol China, Sch Earth & Space Sci, Anhua 230026, Peoples R China
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2007年 / 19卷 / 43期
关键词：
D O I：
10.1088/0953-8984/19/43/436207
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Raman and infrared reflectance spectra of single-crystal lead tetraborate (PbB4O7 : PTB) have been recorded. Using a first-principles calculation, the phonon dispersion relation of PTB has been derived within the local density approximation. A symmetry analysis of the phonon modes at the centre of Brillouin zone was performed, and calculated frequencies are compared to experimental spectra. A good agreement between calculated and measured frequencies was obtained.
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页数：11
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