Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/61222
Type: Artigo de periódico
Title: LATTICE-VIBRATIONS AND ALLOYING - A MODEL INSPIRED IN THE DENSITY-FUNCTIONAL
Author: FERREIRA, LG
BOSELLI, MA
Abstract: By modeling the kinetic-exchange-correlation functional it is possible to find a Hamiltonian for alloying and lattice vibrations consisting of pair interactions plus a homogeneous gas term. The pair interaction is not purely electrostatic, or based on the dielectric constant, but depends on the kinetic-exchange-correlation energy. By parameterizing the pair interaction in the reciprocal space with cubic splines one obtains a simple scheme for fitting experimental and first-principles data.
Subject: PHONONS
ORDER-DISORDER EFFECTS
THERMODYNAMIC PROPERTIES
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Rights: fechado
Identifier DOI: 10.1016/0038-1098(95)00543-9
Date Issue: 1995
Appears in Collections:Unicamp - Artigos e Outros Documentos

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