First-principles Study of Polarization and Piezoelectric Properties of PbZrO3

被引：2
|
作者：
Jaykhedkar, Namrata [1 ]
Shah, Vaishali [1 ]
Premkumar, S. [2 ]
机构：
[1] Savitribai Phule Pune Univ, Dept Interdisciplinary Sch Sci Comp, Pune 411007, Maharashtra, India
[2] Armament Res & Dev Estab, Ctr Funct Mat & Engn, Pune 411021, Maharashtra, India
来源：
62ND DAE SOLID STATE PHYSICS SYMPOSIUM | 2018年 / 1942卷
关键词：
ELASTIC PROPERTIES; TETRAGONAL PBTIO3;
D O I：
10.1063/1.5029189
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We report first-principles investigations on three different phases of Lead Zirconate (PbZrO3 - PZO) namely; cubic, orthorhombic and rhombohedra in order to characterize the material for its ferroelectric and piezoelectric properties. Our interest is in the effect of structure on the polarization and piezoelectric properties of these phases in order to investigate their application potential. The lattice parameters of all the structures are found to be in good agreement with literature. There is no experimental data available for comparison of piezoelectric properties.
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页数：4
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