FIRST-PRINCIPLES STUDY OF EXCITONIC SELF-TRAPPING IN DIAMOND

被引：64

作者：

MAURI, F ^{[1
]}

CAR, R ^{[1
]}

机构：

[1] IN ECUBLENS, INST ROMAND RECH NUMER PHYS MAT, CH-1015 LAUSANNE, SWITZERLAND

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 75卷 / 17期

关键词：

D O I：

10.1103/PhysRevLett.75.3166

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a first-principles study of excitonic self-trapping in diamond. Our calculation provides evidence for self-trapping of the core exciton and gives a coherent interpretation of recent experimental x-ray absorption and emission data. Self-trapping does not occur in the case of a single valence exciton. We predict, however, that self-trapping should occur in the case of a valence biexciton. This process is accompanied by a large local relaxation of the lattice which could be observed experimentally.

引用

页码：3166 / 3169

页数：4

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