| Issue |
Europhys. Lett.
Volume 74, Number 2, April 2006
|
|
|---|---|---|
| Page(s) | 275 - 280 | |
| Section | Condensed matter: structural, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2006-10004-2 | |
| Published online | 15 March 2006 | |
Localized magnetism in liquid 
alloys: A first-principles investigation
1
Laboratoire de Physique des Milieux Denses, Université de Metz 1 Bd FD Arago, F-57078 Metz Cedex 3, France
2
Laboratoire de Thermodynamique et Physicochimie Métallurgiques Domaine Universitaire - 1130 rue de la Piscine, F-38402 Saint Martin d'Hères, France
3
Laboratoire de Physique et Modélisation des Milieux Condensés Maison des Magistères, BP 166 CNRS, F-38042 Grenoble Cedex 09, France
Received:
8
January
2006
Accepted:
20
February
2006
We present first-principles investigations of the formation of magnetic
moments in liquid alloys as a function of temperature. We
predict the existence of large magnetic moments on Mn atoms which are close
to that of the single-impurity limit. The wide distribution of moments can
be understood in terms of fluctuations in the local environment. Our
calculations also predict that thermal expansion effects within the
single-impurity model mainly explain the striking increase of magnetism with
temperature.
PACS: 61.20.-p – Structure of liquids / 61.20.Ja – Computer simulation of liquid structure / 61.25.Mv – Liquid metals and alloys
© EDP Sciences, 2006
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