Ferromagnetism in Mn Substituted Zirconia: A Density-functional Theory Study
Materials Science
2008-09-08 v1 Soft Condensed Matter
Abstract
We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show half-metallic ferromagnetism (HMF), and delta-doping is most energy favorable while homogeneous doping has largest ferromagnetic stabilization energy. Using crystal field theory, we discuss the formation scheme of HMF. Finally, we speculate the potential spintronics applications for Mn doped ZrO2, especially as spin direction controllment.
Cite
@article{arxiv.0809.0971,
title = {Ferromagnetism in Mn Substituted Zirconia: A Density-functional Theory Study},
author = {Xingtao Jia and Wei Yang and Minghui Qin and Xinglai Zhang and Mingai Sun and Jianping Li},
journal= {arXiv preprint arXiv:0809.0971},
year = {2008}
}
Comments
11 page, 4 figures, 35 references