M I Katsnelson and A I Lichtenstein 2004 J. Phys.: Condens. Matter 16 7439 doi:10.1088/0953-8984/16/41/023
M I Katsnelson1,2 and A I Lichtenstein2,3
Show affiliationsStarting from an exact expression for the dynamical spin susceptibility in the time-dependent density functional theory, a controversial issue regarding exchange interaction parameters and spin-wave excitation spectra of itinerant electron ferromagnets is reconsidered. It is shown that the original expressions for exchange integrals based on the magnetic force theorem (Liechtenstein et al 1984 J. Phys. F: Met. Phys. 14 L125) are optimal for calculations of the magnon spectrum, whereas the static response function is better described using the 'renormalized' magnetic force theorem given by Bruno (2003 Phys. Rev. Lett. 90 087205). This conclusion is confirmed by ab initio calculations for Fe and Ni.
75.30.Cr Saturation moments and magnetic susceptibilities
75.30.Et Exchange and superexchange interactions
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 41 (20 October 2004)
Received 10 May 2004, in final form 15 July 2004
Published 1 October 2004
M I Katsnelson and A I Lichtenstein 2004 J. Phys.: Condens. Matter 16 7439
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