First-principles calculations of K2SeO4 dielectrics

被引：0

作者：

Caracas, R ^{[1
]}

Gonze, X ^{[1
]}

机构：

[1] Catholic Univ Louvain, Unite PhysicoChim & Phys Mat, B-1348 Louvain, Belgium

来源：

FUNDAMENTAL PHYSICS OF FERROELECTRICS 2003 | 2003年 / 677卷

关键词：

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study from first principles the groundstate properties of the high-symmetry phases of K2SeO4: two ideal ordered high-temperature hexagonal ones and an orthorhombic one. We analyze in detail the dielectric properties of these phases and discuss certain aspects of the zone-center dynamical properties.

引用

页码：186 / 195

页数：10

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