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Phys. Rev. Lett. 95, 087207 (2005) [4 pages]

Spin Waves in Paramagnetic bcc Iron: Spin Dynamics Simulations

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Xiuping Tao1,2,*, D. P. Landau1, T. C. Schulthess2, and G. M. Stocks3
1Center for Simulational Physics, University of Georgia, Athens, Georgia 30602, USA
2Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6164, USA
3Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114, USA

Received 27 January 2005; published 19 August 2005

Large scale computer simulations are used to elucidate a long-standing controversy regarding the existence, or otherwise, of spin waves in paramagnetic bcc iron. Spin dynamics simulations of the dynamic structure factor of a Heisenberg model of Fe with first principles interactions reveal that well defined peaks persist far above Curie temperature Tc. At large wave vectors these peaks can be ascribed to propagating spin waves; at small wave vectors the peaks correspond to overdamped spin waves. Paradoxically, spin wave excitations exist despite only limited magnetic short-range order at and above Tc.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.95.087207
DOI:
10.1103/PhysRevLett.95.087207
PACS:
75.40.Gb, 75.10.Hk, 75.50.Bb

*Electronic address: txp@uga.edu