Ab initio study of isolated chlorine defects in cubic SiC

被引：5

作者：

Alfieri, G. ^{[1
]}

Kimoto, T. ^{[1
]}

机构：

[1] Kyoto Univ, Dept Elect Sci & Engn, Nishikyo Ku, Kyoto 6158510, Japan

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2011年 / 23卷 / 41期

基金：

日本学术振兴会;

关键词：

HIGH GROWTH-RATE; METHYLTRICHLOROSILANE MTS; ENERGETICS; CVD;

D O I：

10.1088/0953-8984/23/41/415802

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic properties and formation energy of isolated Cl defects in SiC were investigated by first-principles calculations. Chlorine was studied in a substitutional position, in either a carbon (Cl(C)) or a silicon site (Cl(Si)), and in two interstitial positions (Cl(i)), either tetrahedral or octahedral configurations. Our calculations revealed that Cl(C) is energetically favored and it is a likely candidate to explain the nature of the experimentally observed Cl incorporation reported in SiC epilayers grown by chloride-based chemical vapor deposition.

引用

页数：7

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