First-principles study for ferromagnetism of Cu-doped ZnO with carrier doping
DC Field | Value | Language |
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dc.contributor.author | Kang, BS | - |
dc.contributor.author | Kim, KS | - |
dc.contributor.author | Yu, SC | - |
dc.contributor.author | Chae, H | - |
dc.date.accessioned | 2022-04-19T10:11:22Z | - |
dc.date.available | 2022-04-19T10:11:22Z | - |
dc.date.issued | 2013-02 | - |
dc.identifier.issn | 0022-4596 | - |
dc.identifier.issn | 1095-726X | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/147500 | - |
dc.description.abstract | We studied the effects on the ferromagnetism of carrier doping in Zn1-xCuxO with x=0.0277-0.0833 by using the first-principles calculations. The total magnetic moment of Cu is about 1, 2, and 3 mu(B)/cell at the concentration of 2.77%, 5.55%, and 8.33%, respectively. For Zn1-xCuxO1-yNy, we obtained the ferromagnetic and half-metallic ground state. The Cu magnetic moment in low Cu concentration is increased by the N-doping. However, for the F-doping it decreases. The ferromagnetism in Cu-doped ZnO is controllable by changing the carrier density. The N 2p states hybridize well with Cu 3d states instead of the O 2p states. Due to the hybridization between N 2p and Cu 3d states, the holes are itinerant with keeping its 3d states. For (Cu,N)-codoped ZnO, it is recognized that the width of 3d states is larger than that of (Cu,F)-codoped ZnO. Crown Copyright (C) 2012 Published by Elsevier Inc. All rights reserved. | - |
dc.format.extent | 5 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | - |
dc.title | First-principles study for ferromagnetism of Cu-doped ZnO with carrier doping | - |
dc.type | Article | - |
dc.publisher.location | 미국 | - |
dc.identifier.doi | 10.1016/j.jssc.2012.09.041 | - |
dc.identifier.scopusid | 2-s2.0-84867612773 | - |
dc.identifier.wosid | 000314320800018 | - |
dc.identifier.bibliographicCitation | JOURNAL OF SOLID STATE CHEMISTRY, v.198, pp 120 - 124 | - |
dc.citation.title | JOURNAL OF SOLID STATE CHEMISTRY | - |
dc.citation.volume | 198 | - |
dc.citation.startPage | 120 | - |
dc.citation.endPage | 124 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Carrier doping | - |
dc.subject.keywordAuthor | Ferromagnetism | - |
dc.subject.keywordAuthor | First-principles | - |
dc.subject.keywordAuthor | p-type ZnO | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S002245961200638X | - |
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