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

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dc.creatorJia, Xingtao
dc.creatorYang, Wei
dc.creatorQin, Minghui
dc.creatorZhang, Xinglai
dc.creatorSun, Mingai
dc.creatorLi, Jianping
dc.date2008-09-05
dc.date.accessioned2026-07-07T10:00:59Z
dc.date.available2026-07-07T10:00:59Z
dc.descriptionWe 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.
dc.description11 page, 4 figures, 35 references
dc.identifierhttps://arxiv.org/abs/0809.0971
dc.identifierhttp://arxiv.org/abs/0809.0971
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/168494
dc.subjectMaterials Science
dc.subjectSoft Condensed Matter
dc.titleFerromagnetism in Mn Substituted Zirconia: A Density-functional Theory Study
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