MATAR, Samir F.; DEMAZEAU, Gérard

doi:10.1016/j.cplett.2005.03.148

Metadatos

Mostrar el registro completo del ítem

Licencia de uso del documento

MATAR, Samir F.
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

DEMAZEAU, Gérard
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

Idioma

Article de revue

Este ítem está publicado en

Chemical Physics Letters. 2005, vol. 407, n° 4-6, p. 516-521

Elsevier

Resumen en inglés

From self-consistent electronic structure calculations bulkmodulus of CrO2 (270 GPa) is within agreement of experimental value 280 ± 20 GPa. At different simulated isotropic compressions the system remains half metallic for 1 < P < 60 GPa then becomes metallic with lowered magnetization for 60 < P < 120 GPa. This is accompanied by decreasing energy difference between the ferromagnetic ground state and an antiferromagnetic configuration so that both are accessible at high pressures. Spin fluctuation theory analysis points to critical pressure for magnetic order disappearance PC = 150 GPa and dTC/dP = −0.027 K GPa−1. This positions CrO2 between soft (Invar) and very hard (fcc–Ni) magnetic systems pointing to its magnetic hardness.< Leer menos

Palabras clave en inglés

High pressure

Magnetic properites

CrO2

Chrome oxide

Electronic structure calculation

Metadatos

Licencia de uso del documento

Pressure dependence of magnetic properties of CrO2 from theory

Idioma

Este ítem está publicado en

Resumen en inglés

Palabras clave en inglés

DOI

Orígen

Centros de investigación