First-principles study of the diffusion mechanisms of the self-interstitial in germanium

被引：6

作者：

Carvalho, A. ^{[1
]}

Jones, R. ^{[1
]}

Goss, J. P. ^{[2
]}

Janke, C. ^{[1
]}

Oberg, S. ^{[3
]}

Briddon, P. R. ^{[2
]}

机构：

[1] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England

[2] Newcastle Univ, Sch Nat Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England

[3] Lulea Univ Technol, Dept Math, S-97187 Lulea, Sweden

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2008年 / 20卷 / 13期

关键词：

D O I：

10.1088/0953-8984/20/13/135220

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The self- interstitial in germanium can assume multiple configurations depending on the temperature and charge state. Here, we employ a first- principles density functional method to investigate the diffusion mechanisms of this defect. The energy barriers associated with the transformation between different structures are determined by the climbing nudged elastic band method, as a function of the charge state. The relation between the thermodynamic properties of the self- interstitial and the temperature evolution of electron radiation damage in germanium are discussed.

引用

页数：5

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