Magnons in real materials from density-functional theory
Condensed Matter
2009-10-31 v1
Abstract
We present an implementation of the adiabatic spin-wave dynamics of Niu and Kleinman. This technique allows to decouple the spin and charge excitations of a many-electron system using a generalization of the adiabatic approximation. The only input for the spin-wave equations of motion are the energies and Berry curvatures of many-electron states describing frozen spin spirals. The latter are computed using a newly developed technique based on constrained density-functional theory, within the local spin density approximation and the pseudo-potential plane-wave method. Calculations for iron show an excellent agreement with experiments.
Keywords
Cite
@article{arxiv.cond-mat/9908386,
title = {Magnons in real materials from density-functional theory},
author = {Ralph Gebauer and Stefano Baroni},
journal= {arXiv preprint arXiv:cond-mat/9908386},
year = {2009}
}
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