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Titolo:
Magnetic structure in ordered FeCr
Autore:
Qiu, SL;
Indirizzi:
Florida Atlantic Univ, Dept Phys, Alloy Res Ctr, Boca Raton, FL 33431 USA Florida Atlantic Univ Boca Raton FL USA 33431 r, Boca Raton, FL 33431 USA
Titolo Testata:
PHYSICAL REVIEW B-CONDENSED MATTER
fascicolo: 1, volume: 60, anno: 1999,
pagine: 56 - 59
SICI:
0163-1829(19990701)60:1<56:MSIOF>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
COHESIVE PROPERTIES; 4D METALS; IRON; ANTIFERROMAGNETISM; CHROMIUM;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
18
Recensione:
Indirizzi per estratti:
Indirizzo: Qiu, SL Florida Atlantic Univ, Dept Phys, Alloy Res Ctr, Boca Raton, FL 33431 USA Florida Atlantic Univ Boca Raton FL USA 33431 Raton, FL 33431 USA
Citazione:
S.L. Qiu, "Magnetic structure in ordered FeCr", PHYS REV B, 60(1), 1999, pp. 56-59

Abstract

The magnetic phases of FeCr in the CsCl (B-2) structure have been studied by three methods: (1) the full-potential linearized-augmented-plane-wave (FLAPW) method with a local-spin-density approximation without relativistic corrections, (2) the FLAPW method with the Perdew-Burke-Ernzerhof exchange-correlation potential in a generalized-gradient approximation, and (3) the augmented-spherical-wave method with the fixed-spin-moment procedure withoutnonlocal and relativistic corrections. Unusual antiferromagnetic (AF) and ferromagnetic (FM) phases are found from all these calculations; e.g., in the AF phase, both the Fe and the Cr sublattices are separately AF at large enough lattice constant; in the FM phase, the Fe and Cr sublattices have opposite FM moments at large lattice constants. With method (3),a second FM phase is found in which the moments of the two Fe atoms have different magnitudes and even opposite signs at large lattice constants. Methods (1) and (3) agree well in energy and moment values as functions of volume, but method (2) increases the equilibrium lattice constant by 1.9% and the average FMmagnetic moment by 7.8% at equilibrium compared to method (1). [S0163-1829(99)00425-7].

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Documento generato il 25/11/20 alle ore 07:09:36