Electronic and magnetic properties of copper-containing chromium sulfospinel: a first-principles study

Author

Siberchicot, B.

Author_Institution

CEA-Centre d´´Etudes de Limeil-Valenton, Villeneuve, France

Volume

29

Issue

6

fYear

1993

fDate

11/1/1993 12:00:00 AM

Firstpage

3249

Lastpage

3251

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 μ_B 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;

fLanguage

English

Journal_Title

Magnetics, IEEE Transactions on

Publisher

ieee

ISSN

0018-9464

Type

jour

DOI

10.1109/20.281152

Filename

281152