Physics – Condensed Matter – Materials Science
Scientific paper
2008-09-05
Physics
Condensed Matter
Materials Science
11 page, 4 figures, 35 references
Scientific paper
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.
Jia Xingtao
Li Jianping
Qin Minghui
Sun Mingai
Yang Wei
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