Interstitials in SiC:: a model for the DII center

被引：17

作者：

Mattausch, A ^{[1
]}

Bockstedte, M ^{[1
]}

Pankratov, O ^{[1
]}

机构：

[1] Univ Erlangen Nurnberg, Lst Theor Festkorperphys, D-91058 Erlangen, Germany

来源：

PHYSICA B-CONDENSED MATTER | 2001年 / 308卷

关键词：

silicon carbide; point defects; D-II center; LVM;

D O I：

10.1016/S0921-4526(01)00782-7

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In photo luminescence experiments, the D-11 center shows strong carbon-like vibrational modes above the highest bulk phonon mode. We have performed ab initio DFT calculations of the localized vibrational modes (LVM) of defects in SiC possessing carbon-carbon bonds. Among these defects, only the carbon split interstitial-antisite complex is found to exhibit a LVM spectrum compatible with that of the D-11 center. The formation energy of this complex compares to the formation energy of the most abundant interstitial defects, namely the carbon split interstitial and the carbon-silicon split interstitial. We find a high binding energy of 3.6 eV and above. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：656 / 659

页数：4

共 5 条

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