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How Far to Use Tight-Binding Potentials for Bimetallic Surface Modelling?

Published online by Cambridge University Press:  10 February 2011

G. Tréglia  and
B. Legrand
G. Tréglia
Affiliation:
C.R.M.C.2 - C.N.R.S., Campus de Luminy, Case 913, 13288 Marseille Cedex 9, France
B. Legrand
Affiliation:
SRMP/DECM, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France
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Abstract

Modelling in a realistic way both equilibrium and dynamical processes on bimetallic surfaces requires the availability of interatomic potentials sufficiently simple (i.e. analytical) although derived from the electronic structure. This is possible in the framework of Tight-Binding formalism. We present here a review of the applications of such potentials, together with some reflexions about their limitations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 491: Symposium R – Tight Binding Approach to Computational Materials Science , 1997 , 275
Copyright
Copyright © Materials Research Society 1998

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