Polarization-based calculation of the dielectric tensor of polar crystals

被引：210

作者：

Bernardini, F ^{[1
]}

Fiorentini, V ^{[1
]}

Vanderbilt, D ^{[1
]}

机构：

[1] RUTGERS STATE UNIV,DEPT PHYS & ASTRON,PISCATAWAY,NJ

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 79卷 / 20期

关键词：

D O I：

10.1103/PhysRevLett.79.3958

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a novel method for the calculation of the static and electronic dielectric tensor of polar insulating crystals based on concepts from the modern theory of dielectric polarization. As an application, we present the first ab initio calculation of the dielectric constants in the wurtzite III-V nitrides AIN, GaN, and InN.

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页码：3958 / 3961

页数：4

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