CrO2 predicted as a half-metallic ferromagnet

Published under licence by IOP Publishing Ltd
, , Citation K Schwarz 1986 J. Phys. F: Met. Phys. 16 L211 DOI 10.1088/0305-4608/16/9/002

0305-4608/16/9/L211

Abstract

The band structure of chromium dioxide, which is an important material because of its magnetic properties, has been calculated with the augmented spherical wave method by performing self-consistent spin-polarised calculations. The majority-spin electrons are metallic, whereas the minority-spin electrons are semiconducting. A new class of half-metallic ferromagnets is found in the rutile structure.

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