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

Authors
THIAGARAJAN M IYAKUTTI K PALANIYANDI E
Citation
M. Thiagarajan et al., SELF-CONSISTENT STUDY OF LATTICE-RELAXATION AROUND A MAGNESIUM IMPURITY IN ALUMINUM, Physica status solidi. b, Basic research, 187(2), 1995, pp. 575-578
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica status solidi. b, Basic research → ACNP
ISSN journal
03701972
Volume
187
Issue
2
Year of publication
1995
Pages
575 - 578
Database
ISI
SICI code
0370-1972(1995)187:2<575:SSOLAA>2.0.ZU;2-O
Abstract
The lattice relaxation around a Mg impurity in an Al cluster is studie d self-consistently, using the MSX(alpha) method. The atoms surroundin g the Mg impurity in an Al cluster are allowed to relax to various ext ents 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 relaxa tion is found to be 4% of the lattice constant.