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Please use this identifier to cite or link to this item: http://hdl.handle.net/2262/31416

Title: Ab initio electron theory for magnetism in Fe: Pressure dependence of spin-wave energies, exchange parameters, and Curie temperature
Author: EDERER, CLAUDE
Author's Homepage: http://people.tcd.ie/edererc
Keywords: Physics
Issue Date: 2003
Publisher: American Physical Society
Citation: Morán, S., Ederer, C., Fähnle, M. 'Ab initio electron theory for magnetism in Fe: Pressure dependence of spin-wave energies, exchange parameters, and Curie temperature' in Physical Review B - Condensed Matter and Materials Physics, 67, (1), 2003, pp 124071 - 124074
Series/Report no.: Physical Review B - Condensed Matter and Materials Physics
67
1
Abstract: The spin-wave spectra for bcc Fe at various lattice constants are calculated by the ab initio density functional electron theory for various lattice constants, and the exchange parameters of a Heisenberg model are determined from the data. The spin-wave energies increase with decreasing lattice constant, and the behavior of the exchange parameters can by no means be described by the Bethe-Slater curve for an effective nearest-neighbor Heisenberg model. From the spin-wave frequencies the pressure dependence of the Curie temperature is derived in mean-field and random-phase approximation, yielding ∂TcMF/∂p≈1.6 K/kbar and ∂TcRPA/∂p ≈1.8 K/kbar, in contrast to the experimental result ∂Tc/∂p≈0. Possible reasons for this discrepancy are discussed.
Description: PUBLISHED
URI: http://hdl.handle.net/2262/31416
ISSN: http://dx.doi.org/10.1103/PhysRevB.67.012407
Appears in Collections:Physics (Scholarly Publications)

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