STRUCTURE OF SOME LIQUID TRANSITION-METALS USING INTEGRAL-EQUATION THEORY

Citation
O. Akinlade et al., STRUCTURE OF SOME LIQUID TRANSITION-METALS USING INTEGRAL-EQUATION THEORY, Pramana, 47(4), 1996, pp. 271-281
Citations number
19
Categorie Soggetti
Physics
Journal title
ISSN journal
03044289
Volume
47
Issue
4
Year of publication
1996
Pages
271 - 281
Database
ISI
SICI code
0304-4289(1996)47:4<271:SOSLTU>2.0.ZU;2-T
Abstract
We present the results of calculations of the structure factor S(q) of some liquid 3d transition metals using the self consistent hybridized mean spherical approximation (HMSA) integral equation. The local pseu dopotential used is composed of the empty core model and a part that t akes care of s-d mixing through an inverse scattering approach to mode l the interionic pair potential. The results presented are in very goo d agreement with experiment for most of the systems investigated near freezing, as well as for the noble metals Cu, Ag and Au, thus, confirm ing the reliability of the pseudopotential in the present integral equ ation scheme.