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

[1] Ab initio study of intrinsic point defects and dopant-defect complexes in SiC: Application to boron diffusion
Bockstedte, M
Pankratov, O
[J]. SILICON CARBIDE AND RELATED MATERIALS - 1999 PTS, 1 & 2, 2000, 338-3 : 949 - 952
[2] Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics
Bockstedte, M
Kley, A
Neugebauer, J
Scheffler, M
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) : 187 - 222
[3] Self diffusion in SiC: the role of intrinsic point defects
Mattausch, A
Bockstedte, M
Pankratov, O
[J]. SILICON CARBIDE AND RELATED MATERIALS, ECSCRM2000, 2001, 353-356 : 323 - 326
[4] LOCALIZED VIBRATIONAL MODES OF A PERSISTENT DEFECT IN ION-IMPLANTED SIC
PATRICK, L
CHOYKE, WJ
[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1973, 34 (03) : 565 - 567
[5] DII revisited in an modern guise -: 6H- and 4H-SiC
Sridhara, SG
Nizhner, DG
Devaty, RP
Choyke, WJ
Dalibor, T
Pensl, G
Kimoto, T
[J]. SILICON CARBIDE, III-NITRIDES AND RELATED MATERIALS, PTS 1 AND 2, 1998, 264-2 : 493 - 496

← 1 →