Dislocation structures in diamond:: Density-functional based modelling and high-resolution electron microscopy

被引：8

作者：

Blumenau, AT ^{[1
]}

Frauenheim, T

Öberg, S

Willems, B

Van Tendeloo, G

机构：

[1] Univ Gesamthsch Paderborn, Dept Phys, D-33098 Paderborn, Germany

[2] Umea Univ, Dept Math, S-90187 Umea, Sweden

[3] Univ Antwerp, RUCA, EMAT, Dept Phys, B-2020 Antwerp, Belgium

来源：

DEFECTS AND DIFFUSION IN CERAMICS - AN ANNUAL RETROSPECTIVE VI | 2004年 / 226-228卷

关键词：

density-functional theory; diamond; dislocations; electron microscopy; tight-binding;

D O I：

10.4028/www.scientific.net/DDF.226-228.11

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The core structures of perfect 60 and edge dislocations in diamond are investigated atomistically in a density-functional based tight-binding approach, and their dissociation is discussed both in terms of structure and energy. Furthermore, high resolution electron microscopy is performed on dislocation cores in high-temperature, high-pressure annealed natural brown diamond, and HRTEM image simulation allows a comparison of theoretically predicted and experimentally observed structures.

引用

页码：11 / 30

页数：20

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