Title :
Electronic and magnetic properties of copper-containing chromium sulfospinel: a first-principles study
Author_Institution :
CEA-Centre d´´Etudes de Limeil-Valenton, Villeneuve, France
fDate :
11/1/1993 12:00:00 AM
Abstract :
A band-structure calculation, (ASW method) on CuCr2S 4 in order to determine its electronic and magnetic properties is reported. Local magnetic moments are calculated and compared with experimental values. A magnetic moment of 5.04 μB is found on chromium. Density of states shows the p-like character of the conductivity and allows the suggestion of an ionic model for the compound with two valence states for chromium
Keywords :
band model of magnetism; band structure of crystalline semiconductors and insulators; copper compounds; density functional theory; electron spin polarisation; electronic density of states; ferromagnetic properties of substances; magnetic moments; valence bands; ASW method; CuCr2S4; band-structure calculation; conductivity; density of states; electronic properties; ionic model; local magnetic moments; magnetic properties; metallic ferromagnets; self-consistent augmented spherical wave method; spin polarisation; spinel structure; sulfospinel; valence states; Atomic measurements; Chromium; Conductivity; Copper; Magnetic materials; Magnetic moments; Magnetic properties; Magnetic semiconductors; Mercury (metals); Read only memory;
Journal_Title :
Magnetics, IEEE Transactions on
