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A Tight Binding Monte Carlo Simulation Approach to the Cohesive Energy of Amorphous Metallic Alloys

Published online by Cambridge University Press:  28 February 2011

Frederic Lançon ,
Luc Billard  and
Alain Pasturel
Frederic Lançon
Affiliation:
DRF, Service de Physique, Métallurgie Physique, CEN-Grenoble, 85X, 38041 Grenoble Cédex, France
Luc Billard
Affiliation:
DRF, Service de Physique, Métallurgie Physique, CEN-Grenoble, 85X, 38041 Grenoble Cédex, France
Alain Pasturel
Affiliation:
L.T.P.C.M., ENSEEG, BP 75, 38402 Saint Martin d&Hères Cédex, France
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Abstract

We present microscopic calculations of the cohesive energy of amorphous metallic alloys. Our method is based on a tight-binding and Monte Carlo simulation approaches to calculate the equilibrium atomic structure. The same model tight-binding Hamiltonian is then used to calculate electronic structure and energy using a Bethe-Cluster approximation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 201
Copyright
Copyright © Materials Research Society 1989

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References

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