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    Ferromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU study

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    Type
    Article
    Authors
    Mi, Wenbo
    Yang, Hua
    Cheng, Yingchun cc
    Bai, Haili
    KAUST Department
    Physical Science and Engineering (PSE) Division
    Date
    2012-07
    Permanent link to this record
    http://hdl.handle.net/10754/562229
    
    Metadata
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    Abstract
    Ferromagnetic half metallicity with a high spin polarization of 100% was predicted in the bulk Ni 0.5Cu 0.5O using density-functional theory method. The band gap of majority spin is 3.45 eV for Ni 0.5Cu 0.5O. The density of states of minority spin at the Fermi level are mainly from Cu 3d and O 2p in the Ni 0.5Cu 0.5O. The magnetic moments are from Ni 3d states. Ni 0.5Zn 0.5O and Ni 0.5Cd 0.5O systems are ferromagnetic insulators, but the magnetic moment of Ni 2 ions is enhanced by the Zn and Cd incorporation. Therefore, Ni 0.5Cu 0.5O is the potential candidate for spintronics devices because of the predicted high spin polarization. © 2012 Elsevier Ltd. All rights reserved.
    Citation
    Mi, W., Yang, H., Cheng, Y., & Bai, H. (2012). Ferromagnetic half-metallic characteristic in bulk Ni0.5M0.5O (M=Cu, Zn and Cd): A GGA+U study. Solid State Communications, 152(13), 1108–1111. doi:10.1016/j.ssc.2012.04.011
    Sponsors
    This work was supported by the National Natural Science Foundation of China (51171126) and the Key Project of Natural Science Foundation of Tianjin City (12JCZDJC27100).
    Publisher
    Elsevier BV
    Journal
    Solid State Communications
    DOI
    10.1016/j.ssc.2012.04.011
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.ssc.2012.04.011
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division

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