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Title: Half-metallic NiO in zinc-blende structure from ab initio calculations
Authors: Wu, R.Q. 
Feng, Y.P. 
Ouyang, Y.F.
Zhou, P.
Hu, C.H.
Issue Date: 2008
Citation: Wu, R.Q., Feng, Y.P., Ouyang, Y.F., Zhou, P., Hu, C.H. (2008). Half-metallic NiO in zinc-blende structure from ab initio calculations. Journal of Applied Physics 104 (4) : -. ScholarBank@NUS Repository.
Abstract: Structural and electronic properties of NiO in the zinc-blende (zb) structure have been studied by ab initio calculations based on density functional theory. The results show that zb-NiO has a half-metallic band structure and its lattice constant is compatible to that of wide gap semiconductors such as SiC, GaN, and ZnO. The half-metallic character can survive the in-plane strain from the wide gap semiconductor substrates. Thus, our calculations indicate that NiO can be a potential half metal for these wide gap semiconductors for spin injection. © 2008 American Institute of Physics.
Source Title: Journal of Applied Physics
ISSN: 00218979
DOI: 10.1063/1.2969053
Appears in Collections:Staff Publications

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