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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

REFERENCES

1. Kakehashi, Y., Akbar, S., and Kimura, N., Phys. Rev. B 57, 8354 (1998).Google Scholar
2. Akbar, S., Kakehashi, Y., and Kimura, N., J. Phys.: Condens. Matter 10, 2081 (1998).Google Scholar
3. Kakehashi, Y., Al-Attar, H., and Kimura, N., Phys. Rev. B 59, 8664 (1999).Google Scholar
4. Nosé, S., J. Chem. Phys. 81, 511 (1984).Google Scholar
5. Haydock, R., Heine, V., and Kelly, M. J., J. Phys. C 8, 591 (1975).Google Scholar
6. Inoue, J. and Ohta, Y., J. Phys. C 20, 1947 (1987).Google Scholar
7. Haydock, R. and Kelly, M. J., Surf. Sci. 38, 139 (1973).Google Scholar
8. Allen, M. P. and Tildesley, D. J., Computer Simulations of Liquids, page 81, Oxford University Press, Oxford, 1989.Google Scholar
9. Nicholson, D. M. C. and Zhang, X.-G., Phys. Rev. B 56, 12805 (1997).Google Scholar