First-principles study of magnetic properties in V-doped ZnO

doi:10.1063/1.2768628

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	First-principles study of magnetic properties in V-doped ZnO
	Wang, Qian ; Sun, Qiang ; Jena, Puru ; Hu, Zheng ; Note, R. ; Kawazoe, Y.
刊名	应用物理学快报
	2007
关键词	AB-INITIO SEMICONDUCTORS FERROMAGNETISM FILMS
DOI	10.1063/1.2768628
英文摘要	A comprehensive theoretical study of electronic and magnetic properties of V-doped ZnO in bulk as well as (11 (2) over bar0) thin films has been performed using density functional theory. Vanadium atoms substituted at Zn sites show very little selectivity of site occupancy. More importantly, different geometries with ferromagnetic, ferrimagnetic, and antiferromagnetic configurations are found to be energetically nearly degenerate both in Zn1-xVxO bulk and subsurface layers of the thin film. On the other hand, V atoms couple ferromagnetically when they occupy surface sites of the thin film. The diverse magnetic behaviors in V-doped ZnO account for the many reported conflicting experimental results. (c) 2007 American Institute of Physics.; Physics, Applied; SCI(E); EI; 0; ARTICLE; 6; 91
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/249880]
专题	工学院
推荐引用方式 GB/T 7714	Wang, Qian,Sun, Qiang,Jena, Puru,et al. First-principles study of magnetic properties in V-doped ZnO[J]. 应用物理学快报,2007.
APA	Wang, Qian,Sun, Qiang,Jena, Puru,Hu, Zheng,Note, R.,&Kawazoe, Y..(2007).First-principles study of magnetic properties in V-doped ZnO.应用物理学快报.
MLA	Wang, Qian,et al."First-principles study of magnetic properties in V-doped ZnO".应用物理学快报 (2007).