Vibrational analysis of PbHPO4 and PbDPO4 crystals

被引：14
|
作者：
Shchur, Yaroslav [1 ]
机构：
[1] Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
来源：
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2009年 / 246卷 / 01期
关键词：
FERROELECTRIC PHASE-TRANSITION; HYDROGEN-BONDED FERROELECTRICS; LEAD MONOHYDROGEN PHOSPHATE; HYPER-RAMAN SPECTRA; DIELECTRIC-PROPERTIES; PRESSURE-DEPENDENCE; LATTICE; MODES; DYNAMICS; TEMPERATURE;
D O I：
10.1002/pssb.200844321
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Lattice dynamics simulation of PbHPO4 and PbDPO4 crystals is performed in paraelectric phase within the semi-empirical approach. The interpretation of experimental Raman spectra is done using the calculated density of states and the dispersion of mean square displacements of constituent atoms. The ferroelectric phase transition caused by proton-phonon and phonon-phonon interactions. The internal bending mode of PO4 tetrahedral groups may be treated as the probable candidate evoking the appearance of spontaneous polarisation. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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页码：102 / 109
页数：8
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