Ab initio analysis of energetics of sigma-phase formation in Cr-based systems - art. no. 174104

Authors
Havrankova, J Vrestal, J Wang, LG Sob, M
Citation
J. Havrankova et al., Ab initio analysis of energetics of sigma-phase formation in Cr-based systems - art. no. 174104, PHYS REV B, 6317(17), 2001, pp. 4104
Citations number
21
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
6317
Issue
17
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010501)6317:17<4104:AIAOEO>2.0.ZU;2-R
Abstract
A theoretical approach to the explanation of experimentally determined posi tive enthalpy of formation in Cr-based sigma phases is presented. It turns out that the energy of formation of sigma phases in Cr-Co and Cr-Fe systems is found to be negative taking the pure components in the sigma -phase str ucture as the standard states. Our treatment represents a first step to a m odel of an explanation of the stability of the sigma phase.