Giant stability of substituent Co chains in ZnO:Co dilute magnetic oxides | Zendy

Yuebin Zhang | Zendy; M. Hussein N. Assadi | Zendy; Sean Li | Zendy

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Giant stability of substituent Co chains in ZnO:Co dilute magnetic oxides

Author(s) -

Yuebin Zhang,

M. Hussein N. Assadi,

Sean Li

Publication year - 2012

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4769083

Subject(s) - substituent , antiferromagnetism , density functional theory , crystallography , ion , crystallite , cobalt , chemistry , chemical stability , materials science , inorganic chemistry , computational chemistry , stereochemistry , condensed matter physics , physics , organic chemistry

Chemical and magnetic structures of substituent Co ions in ZnO:Co dilute magnetic oxides are investigated by using first-principles density functional calculations of isolated Co, clustered Co-O-Con (n>0) and chained -Co-O-Co-O-. It demonstrates that the substitutional Co ions in ZnO tend to form -Co-O-Co-O- chains or Co-O-Con clusters rather than stay isolated. The most stable structure was identified to be antiferromagnetic -Co-O-Co-O- chains via O on ab plane rather than Co-O-Con clusters. Furthermore, substituent Cu codoping in ZnO is disclosed to suppress the Co's tendency towards chain-like structures or clusters, thus enhancing its homogeneous distribution

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