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Magnons in real materials from density-functional theory

Gebauer, R.
•
Baroni, S.
2000
  • journal article

Periodico
PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS
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 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.
DOI
10.1103/PhysRevB.61.R6459
WOS
WOS:000085985800004
Archivio
http://hdl.handle.net/20.500.11767/14057
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-0000210068
https://arxiv.org/abs/cond-mat/9908386
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Scopus© citazioni
50
Data di acquisizione
Jun 14, 2022
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Web of Science© citazioni
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Data di acquisizione
Mar 18, 2024
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Data di acquisizione
Apr 19, 2024
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