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|Title:||Half-metallic NiO in zinc-blende structure from ab initio calculations||Authors:||Wu, R.Q.
|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. https://doi.org/10.1063/1.2969053||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||URI:||http://scholarbank.nus.edu.sg/handle/10635/96761||ISSN:||00218979||DOI:||10.1063/1.2969053|
|Appears in Collections:||Staff Publications|
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