SELF-CONSISTENT STUDY OF LATTICE-RELAXATION AROUND A MAGNESIUM IMPURITY IN ALUMINUM

被引：1

作者：

THIAGARAJAN, M ^{[1
]}

IYAKUTTI, K ^{[1
]}

PALANIYANDI, E ^{[1
]}

机构：

[1] MADURAI KAMARAJ UNIV,SCH PHYS,DEPT MICROPROCESSOR & COMP,MADURAI 625021,TAMIL NADU,INDIA

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1995年 / 187卷 / 02期

关键词：

D O I：

10.1002/pssb.2221870241

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The lattice relaxation around a Mg impurity in an Al cluster is studied self-consistently, using the MSX(alpha) method. The atoms surrounding the Mg impurity in an Al cluster are allowed to relax to various extents and the correponding total energies of the cluster are computed. It is found that for a particular relaxed position, the cluster total energy is minimum. For the Mg impurity in Al, the corresponding relaxation is found to be 4% of the lattice constant.

引用

页码：575 / 578

页数：4

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