Structural transformation in the 90° partial dislocation in Si due to Ga impurities

被引：3

作者：

Kaplan, T ^{[1
]}

Mostoller, M

Chisholm, MF

机构：

[1] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA

[2] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW B | 1998年 / 58卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.58.12865

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ga impurities in the 90 degrees Shockley partial dislocation in silicon have been investigated using first-principles total-energy pseudopotential calculations. The results indicate that Ga segregates to the core of the dislocation and destabilizes the asymmetric fourfold coordinated structure, which is known to be the low-energy configuration in pure Si. The segregation energy for Ga in the symmetric core configuration is 0.53 eV/atom. The atomic mechanism for this spontaneous transformation to the symmetric structure is the passivation of quasifive-fold sites in the symmetric core by Ga. [S0163-1829(98)01744-5].

引用

页码：12865 / 12867

页数：3

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