Lattice dynamics simulation of CsH2PO4 crystal

被引：5
|
作者：
Shchur, Y [1 ]
机构：
[1] Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
来源：
FERROELECTRICS | 2005年 / 317卷
关键词：
lattice dynamics; phonon density of states; CsH2PO4; CSD2PO4;
D O I：
10.1080/00150190590963462
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The simulation of CsH2PO4 lattice dynamics in paraelectric phase was carried out within the semi-phenomenological approach. Phonon frequencies at Brillouin zone centre, LO-TO splitting of polar modes, phonon density of states, partial density of states associated with a certain type of atoms and specific heat were calculated. A reasonable agreement between the computed values and experimental data reveals an acceptability of the suggested approach.
引用
收藏
页码：261 / 265
页数：5
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