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Molecular-Dynamics Simulations of Magnetic Structures in Metallic Systems

Published online by Cambridge University Press:  21 March 2011

Ralf Meyer  and
Laurent J. Lewis
Ralf Meyer
Affiliation:
Département de Physique, Université de Montréal and Groupe de Recherche en Physique et Technologie des Couches Minces (GCM) C.P. 6128 succursale centre-ville, Montréal (Québec) H3C 3J7, Canada
Laurent J. Lewis
Affiliation:
Département de Physique, Université de Montréal and Groupe de Recherche en Physique et Technologie des Couches Minces (GCM) C.P. 6128 succursale centre-ville, Montréal (Québec) H3C 3J7, Canada
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Abstract

Recently a method has been proposed which allows the calculation of complex magnetic structures from a simple d-band tight-binding Hamiltonian including Coulomb and exchange interactions with the help of a molecular-dynamics simulations. In this article an improved version of this ap- proach is suggested which retains the rotational symmetry of the simulated system. The improved algorithm is applied to systems with electron numbers in the range 7 ≤nd ≤ 8.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 677: Symposium AA – Advances in Materials Theory and Modeling–Bridging Over Multiple-Length and Time Scales , 2001 , AA6.3
Copyright
Copyright © Materials Research Society 2001

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References

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