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Magnetic short-range order in iron above Tc? Statistical mechanics with many-atom interactions

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journal contribution
posted on 29.06.2006 by Kamaljeet S. Chana, John Samson, M.U. Luchini, V. Heine
An effective spin Hamiltonian for iron has been derived previously from electronic structure calculations; there are strong many-atom interactions. The exchange interactions Jij depend on the surrounding magnetic order. We investigate the magnetisation and spin correlation function in iron on this basis in two ways: by fitting the Jij to an analytically soluble Hamiltonian (an extended spherical model) and by Monte Carlo simulation. Short-range manyatom interactions do not lead to substantial short range order in the paramagnetic state; the behaviour closely resembles that of the nearest-neighbour Heisenberg model. The main effect is a slight distortion of the magnetisation curve below TC. Longer range oscillatory pair interactions are needed for short-range order, but are not supported by the electronic structure data. We conclude that calculations of the electronic energy in static configurations do not lead to unusual short range order.

History

School

  • Science

Department

  • Physics

Pages

1000768 bytes

Citation

CHANA et al, 1991. Magnetic short-range order in iron above Tc? Statistical mechanics with many-atom interactions. Journal of Physics: Condensed Matter, 3(33), pp. 6455-6471

Publisher

© Institute of Physics

Publication date

1991

Notes

This article was published in the journal, Journal of Physics: Condensed Matter [© Institute of Physics] and is also available at: http://www.iop.org/EJ/journal/JPhysCM.

ISSN

0953-8984

Language

en

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