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Influence of temperature on the systematics of magnetic moments of free Fe clusters

O Šipr1, S Polesya2, J Minár2 and H Ebert2

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We investigate how temperature affects the dependence of the average magnetic moments \bar {\mu } of clusters on their size and how the magnetic moment profile of an individual cluster varies with temperature T. The focus is on free spherical Fe clusters of 9–89 atoms. The interaction among individual magnetic moments is described by a classical Heisenberg spin Hamiltonian, with exchange coupling constants provided by ab initio calculations. Average magnetic moments \bar
{\mu } for finite T were obtained via Monte Carlo simulations. We found that the exchange coupling depends on the cluster size and on the position of the atom in the cluster in a complex way, with no obvious systematics. The magnetic moment profile of an individual cluster becomes more uniform if T increases. The dependence of \bar {\mu } on the cluster size, in practice, does not depend on temperature if T is in the range of 0–300 K. Ground-state calculations for T = 0 K should thus be able to describe experiments based on the deflection of a molecular beam in a magnet for T\neq 0  K.


PACS

75.30.Cr Saturation moments and magnetic susceptibilities

75.10.Dg Crystal-field theory and spin Hamiltonians

75.30.Et Exchange and superexchange interactions

75.10.Hk Classical spin models

Subjects

Condensed matter: electrical, magnetic and optical

Dates

Issue 44 (7 November 2007)

Received 27 April 2007, in final form 5 September 2007

Published 16 October 2007



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