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The magnetic interaction of Fe doped ZnO with intrinsic defects: A first principles study (Articolo in rivista)
- Type
- Label
- The magnetic interaction of Fe doped ZnO with intrinsic defects: A first principles study (Articolo in rivista) (literal)
- Anno
- 2007-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.physb.2007.08.209 (literal)
- Alternative label
Debernardi, A; Fanciulli, M (2007)
The magnetic interaction of Fe doped ZnO with intrinsic defects: A first principles study
in Physica. B, Condensed matter (Print)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Debernardi, A; Fanciulli, M (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- INFM, CNR, MDM Natl Lab, Agrate Brianza, Italy (literal)
- Titolo
- The magnetic interaction of Fe doped ZnO with intrinsic defects: A first principles study (literal)
- Abstract
- By density functional supercell calculations we have studied the magnetic properties of intrinsic vacancies in ZnO doped with diluted Fe impurities. We found that the more energetically favored Fe-zn-Vo configuration corresponds to the one in which the two defects are far apart. On the contrary, among the investigated configurations of Fe-zn-Vzn, the one having the lower formation energy corresponds to the complex in which one defect is in the next nearest neighbor position with respect to the other. For Zn-poor growth condition the thermal population of the latter complex provide a key to understand the magnetism of the system. (C) 2007 Elsevier B.V. All rights reserved. (literal)
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