Nitrogen defects and ferromagnetism of Cr-doped AlN diluted magnetic semiconductor from first principles

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dc.creatorShi, Li-Jie
dc.creatorZhu, Li-Fang
dc.creatorZhao, Yong-Hong
dc.creatorLiu, Bang-Gui
dc.date2008-10-28
dc.date.accessioned2026-07-07T10:18:11Z
dc.date.available2026-07-07T10:18:11Z
dc.descriptionHigh Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V_N). Calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidating the mechanism for the ferromagnetism and exploring high-performance Cr-doped AlN diluted magnetic semiconductors.
dc.description8 pages with figures included
dc.identifierhttps://arxiv.org/abs/0810.5048
dc.identifierhttp://arxiv.org/abs/0810.5048
dc.identifierPhys. Rev. B 78, 195206 (2008)
dc.identifierdoi:10.1103/PhysRevB.78.195206
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/174104
dc.subjectMaterials Science
dc.titleNitrogen defects and ferromagnetism of Cr-doped AlN diluted magnetic semiconductor from first principles
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