Ferromagnetism in Mn Substituted Zirconia: A Density-functional Theory Study

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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.
11 page, 4 figures, 35 references

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Materials Science, Soft Condensed Matter

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http://salesiana.dossiersoluciones.com/handle/123456789/168494

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0809.0971
 http://arxiv.org/abs/0809.0971

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arXiv