Ionicity of SiC polytypes

被引:0
|
作者
Wellenhofer, G [1 ]
Karch, K [1 ]
Pavone, P [1 ]
Rossler, U [1 ]
Strauch, D [1 ]
机构
[1] UNIV JENA,IFTO,D-07743 JENA,GERMANY
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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 present a first-principles study of ionicity in SiC polytypes using two different approaches, a static and a dynamic one. Our calculations are performed within the framework of density-functional theory (DFT) and linear-response approach to DFT. Special attention is paid in applying these concepts to hexagonal polytypes and discussing the pressure-induced increase of the ionicity in SiC.
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页码:301 / 304
页数:4
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