"Incommensurate and Commensurate Antiferromagnetic Spin Fluctuations in Cr and Cr Alloys from Ab Initio Dynamical Spin Susceptibility Calculations" by Duane D. Johnson

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

Physical Review Letters (1999)

Duane D. Johnson, University of Illinois at Urbana-Champaign
J. Pulter, Mahidol University
B. Ginatempo
E. Bruno
J. B. Staunton, University of Warwick

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Abstract

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.

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Publication Date

April 19, 1999

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Citation Information

Duane D. Johnson, J. Pulter, B. Ginatempo, E. Bruno, et al.. "Incommensurate and Commensurate Antiferromagnetic Spin Fluctuations in Cr and Cr Alloys from Ab Initio Dynamical Spin Susceptibility Calculations" Physical Review Letters Vol. 82 Iss. 16 (1999)
Available at: http://works.bepress.com/duane_johnson/61/