First-principles calculations of pressure-dependent properties of SiC

被引：0

作者：

Karch, K ^{[1
]}

Zywietz, A ^{[1
]}

Bechstedt, F ^{[1
]}

Pavone, P ^{[1
]}

Strauch, D ^{[1
]}

机构：

[1] UNIV REGENSBURG,INST THEORET PHYS,D-93040 REGENSBURG,GERMANY

来源：

SILICON CARBIDE AND RELATED MATERIALS 1995 | 1996年 / 142卷

关键词：

D O I：

暂无

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

We report results of ab initio calculations of pressure-dependent structural, lattice-dynamical, and dielectric properties of cubic 3C and hexagonal 2H and 4H polytypes of silicon carbide (SiC). Our calculations are performed within density-functional theory (DFT) and density-functional perturbation theory (DFPT). We investigate the influence of hydrostatic pressure on the structural parameters, the zone-center phonon frequencies, the tensor of the Born effective charges, and on the dielectric tensor.

引用

页码：337 / 340

页数：4

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