Band-structure and correlation effects in the Co(111) planes of CoO

Authors

Ralph Skomski, University of Nebraska-LincolnFollow
Xiaohui Wei, University of Nebraska-Lincoln
David J. Sellmyer, University of Nebraska-LincolnFollow

Date of this Version

February 2008

Comments

Published in JOURNAL OF APPLIED PHYSICS 103, 07C908 2008. Copyright © 2008 American Institute of Physics. Used by permission.

Abstract

The origin of the striking magnetic anisotropy of cobaltous oxide (CoO) is investigated by model calculations. A key feature of the electronic structure of the antiferromagnetic compound is the accommodation of Co 3d electrons in the (111) Co planes, with parallel and antiparallel intra- and interplane spin orientations and reminiscent of Cu 3d electrons in the CuO₂ planes in high-temperature superconductors. The strong correlations of the Co 3d electrons lead to a picture intermediate between traditional crystal-field and itinerant-electron descriptions of the magnetic anisotropy. Using a simple configuration-interaction approach, we analyze the effect of 3d⁸-3d⁶ bonds and their interplay with 3d⁷-3d⁷ configurations.