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Titolo:
Magnons in real materials from density-functional theory
Autore:
Gebauer, R; Baroni, S;
Indirizzi:
Ist Nazl Fis Mat, I-34014 Trieste, Italy Ist Nazl Fis Mat Trieste Italy I-34014 l Fis Mat, I-34014 Trieste, Italy SISSA, I-34014 Trieste, Italy SISSA Trieste Italy I-34014SISSA, I-34014 Trieste, Italy Ecole Normale Super Lyon, CECAM, F-69364 Lyon, France Ecole Normale Super Lyon Lyon France F-69364 CECAM, F-69364 Lyon, France
Titolo Testata:
PHYSICAL REVIEW B
fascicolo: 10, volume: 61, anno: 2000,
pagine: R6459 - R6462
SICI:
1098-0121(20000301)61:10<R6459:MIRMFD>2.0.ZU;2-Y
Fonte:
ISI
Lingua:
ENG
Soggetto:
MAGNETIC EXCITATIONS; SPIN FLUCTUATIONS; DYNAMICS; IRON; FE; PSEUDOPOTENTIALS; METALS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
24
Recensione:
Indirizzi per estratti:
Indirizzo: Baroni, S Ist Nazl Fis Mat, Via Beirut 2-4, I-34014 Trieste, Italy Ist Nazl Fis Mat Via Beirut 2-4 Trieste Italy I-34014 te, Italy
Citazione:
R. Gebauer e S. Baroni, "Magnons in real materials from density-functional theory", PHYS REV B, 61(10), 2000, pp. R6459-R6462

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.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/07/20 alle ore 18:31:41