Ab initio calculations of CuAlO2-based dilute magnetic semiconductor

We propose materials design of CuAlO2-based dilute magnetic semiconductors (DMSs). The electronic structures and the magnetic properties of CuAlO2-based DMSs are calculated by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation within the local density approxim...

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Published inPhysica. B, Condensed matter Vol. 376-377; pp. 812 - 815
Main Authors Kizaki, H, Sato, K, Yanase, A, Katayama-Yoshida, H
Format Journal Article
LanguageEnglish
Published 01.04.2006
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Summary:We propose materials design of CuAlO2-based dilute magnetic semiconductors (DMSs). The electronic structures and the magnetic properties of CuAlO2-based DMSs are calculated by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation within the local density approximation. We take into account Cu and Al sites for substitution. Curie temperatures are estimated by the mean-field approximation from the total energy difference between ferromagnetic states and paramagnetic states.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
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ISSN:0921-4526
DOI:10.1016/j.physb.2005.12.203