HEAT OF SEGREGATION OF SINGLE SUBSTITUTIONAL IMPURITIES

Authors
BOZZOLO G GOOD B FERRANTE J
Citation
G. Bozzolo et al., HEAT OF SEGREGATION OF SINGLE SUBSTITUTIONAL IMPURITIES, Surface science, 289(1-2), 1993, pp. 169-179
Citations number
71
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
289
Issue
1-2
Year of publication
1993
Pages
169 - 179
Database
ISI
SICI code
0039-6028(1993)289:1-2<169:HOSOSS>2.0.ZU;2-I
Abstract
The method of Bozzolo, Ferrante and Smith (BFS) is applied for the cal culation of the heat of segregation of single substitutional impuritie s in fcc metals. A simple equation for predicting the heat of segregat ion is derived for the rigid case (no atomic relaxations). The results of including atomic relaxation using a Monte Carlo method are also pr esented and the results compared with a number of experimental and the oretical results.