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
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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