EXPONENTIAL MANY-BODY POTENTIALS AND ELASTIC-CONSTANTS OF FCC TRANSITION-METALS

Authors
PAIDAR V LARERE A PRIESTER L
Citation
V. Paidar et al., EXPONENTIAL MANY-BODY POTENTIALS AND ELASTIC-CONSTANTS OF FCC TRANSITION-METALS, Modelling and simulation in materials science and engineering, 5(4), 1997, pp. 381-390
Citations number
17
Categorie Soggetti
Material Science","Physics, Applied
Journal title
Modelling and simulation in materials science and engineering → ACNP
ISSN journal
09650393
Volume
5
Issue
4
Year of publication
1997
Pages
381 - 390
Database
ISI
SICI code
0965-0393(1997)5:4<381:EMPAEO>2.0.ZU;2-0
Abstract
The elastic constants of fee transition metals are studied as function s of the exponential parameters of a many-body potential based on the second moment approximation of the d-electron density of states. It is shown that this model gives a reasonable agreement with the experimen tal values not only for all three independent elastic constants but al so for the vacancy formation energy for Cu, Ag, Au and Ni. Less satisf actory results are obtained for Ir, Rh, Pt and Pd.