APS » PROLA » Phys. Rev. Lett. » Volume 82 » Issue 16

Phys. Rev. Lett. 82, 3340 - 3343 (1999)

Incommensurate and Commensurate Antiferromagnetic Spin Fluctuations in Cr and Cr Alloys from Ab Initio Dynamical Spin Susceptibility Calculations

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J. B. Staunton1, J. Poulter2, B. Ginatempo3, E. Bruno3, and D. D. Johnson4
1Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom
2Department of Mathematics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand
3Dipartimento di Fisica and Unita INFM, Università di Messina, Italy
4Department of Materials Science and Engineering, University of Illinois, Champaign, Illinois 61801

Received 12 November 1998

A scheme for making ab initio calculations of the dynamic paramagnetic spin susceptibilities of solids at finite temperatures is described. It is based on time-dependent density functional theory and employs an electronic multiple scattering formalism. Incommensurate and commensurate antiferromagnetic spin fluctuations in paramagnetic Cr and compositionally disordered Cr95V5 and Cr95Re5 alloys are studied together with the connection with the nesting of their Fermi surfaces. We find that the spin fluctuations can be described rather simply in terms of an overdamped oscillator model. Good agreement with inelastic neutron scattering data is obtained.


©1999 The American Physical Society

URL: http://link.aps.org/abstract/PRL/v82/p3340
DOI: 10.1103/PhysRevLett.82.3340
PACS: 75.40.Gb, 71.15.Mb, 75.10.Lp, 75.20.En

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