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Ferromagnetism in pure wurtzite zinc oxide
Xu Zuo ; Soack-Dae Yoon ; Yang, A. ; Wen-Hui Duan ; Vittoria, C. ; Harris, V.G.
2010-10-12 ; 2010-10-12
关键词Theoretical or Mathematical/ ab initio calculations density functional theory electronic density of states ferromagnetic materials II-VI semiconductors interstitials magnetic moments magnetic semiconductors vacancies (crystal) wide band gap semiconductors zinc compounds/ ferromagnetism pure wurtzite zinc oxide intrinsic point defects ab initio calculation density functional theory oxygen interstitial zinc vacancy ferromagnetic semiconductor electronic configuration magnetic moment electronic structure density of states ZnO/ A7125T Electronic structure of crystalline semiconductor compounds and insulators A7115M Density functional theory, local density approximation (condensed matter electronic structure) A7530C Magnetic moments and susceptibility in magnetically ordered materials A7550D Ferromagnetism of nonmetals A6170B Interstitials and vacancies A7550P Magnetic semiconductors A7115A Ab initio calculations (condensed matter electronic structure)/ ZnO/bin Zn/bin O/bin
中文摘要The ferromagnetism induced by the intrinsic point defects in wurtzite zinc oxide is studied by using ab initio calculation based on density functional theory. The calculations show that both oxygen interstitial and zinc vacancy may induce ferromagnetism into this material. The calculations also show that zinc oxide with oxygen interstitial may be a ferromagnetic semiconductor. Based on the simplified electronic configuration of the defect molecules, we explain the total magnetic moment, electronic structure, and ferromagnetism.
语种英语
出版者American Institute of Physics ; USA
内容类型期刊论文
源URL[http://hdl.handle.net/123456789/81394]  
专题清华大学
推荐引用方式
GB/T 7714
Xu Zuo,Soack-Dae Yoon,Yang, A.,et al. Ferromagnetism in pure wurtzite zinc oxide[J],2010, 2010.
APA Xu Zuo,Soack-Dae Yoon,Yang, A.,Wen-Hui Duan,Vittoria, C.,&Harris, V.G..(2010).Ferromagnetism in pure wurtzite zinc oxide..
MLA Xu Zuo,et al."Ferromagnetism in pure wurtzite zinc oxide".(2010).
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