Structure and magnetism of small Gd and Fe nanoclusters: LDA plus U calculations

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dc.contributor.authorKim, Gunnko
dc.contributor.authorPark, Yongjinko
dc.contributor.authorHan, Myung Joonko
dc.contributor.authorYu, Jaejunko
dc.contributor.authorHeo, Chaejeongko
dc.contributor.authorLee, Young Heeko
dc.date.accessioned2013-03-12T17:48:40Z-
dc.date.available2013-03-12T17:48:40Z-
dc.date.created2012-08-03-
dc.date.created2012-08-03-
dc.date.issued2009-12-
dc.identifier.citationSOLID STATE COMMUNICATIONS, v.149, no.45-46, pp.2058 - 2060-
dc.identifier.issn0038-1098-
dc.identifier.urihttp://hdl.handle.net/10203/103063-
dc.description.abstractWe investigate the structure and magnetic characteristics of small metal nanoclusters consisting of Gd and/or Fe within the LIDA + U density-functional approach. Pure Gd and Fe nanoclusters have larger ferromagnetic moments than their respective bulk counterparts. Among binary Fe-Gd nanoclusters of dimers, trimers, and tetramers, the Fe-rich nanoclusters are energetically favored with relatively small ferromagnetic moments and the Gd-rich nanoclusters prefer antiferrimagnetic spin configurations, where Gd sites are spin up and Fe sites are spin down. (C) 2009 Elsevier Ltd. All rights reserved.-
dc.languageEnglish-
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD-
dc.subjectIRON CLUSTERS-
dc.subjectELECTRONIC-STRUCTURE-
dc.subjectAGENTS-
dc.subjectMETAL-
dc.subjectPSEUDOPOTENTIALS-
dc.subjectCOMPLEXES-
dc.subjectSYSTEMS-
dc.titleStructure and magnetism of small Gd and Fe nanoclusters: LDA plus U calculations-
dc.typeArticle-
dc.identifier.wosid000271549000018-
dc.identifier.scopusid2-s2.0-70349804503-
dc.type.rimsART-
dc.citation.volume149-
dc.citation.issue45-46-
dc.citation.beginningpage2058-
dc.citation.endingpage2060-
dc.citation.publicationnameSOLID STATE COMMUNICATIONS-
dc.identifier.doi10.1016/j.ssc.2009.08.022-
dc.contributor.localauthorHan, Myung Joon-
dc.contributor.nonIdAuthorKim, Gunn-
dc.contributor.nonIdAuthorPark, Yongjin-
dc.contributor.nonIdAuthorYu, Jaejun-
dc.contributor.nonIdAuthorHeo, Chaejeong-
dc.contributor.nonIdAuthorLee, Young Hee-
dc.type.journalArticleArticle-
dc.subject.keywordAuthorNanocluster-
dc.subject.keywordAuthorBinding energy-
dc.subject.keywordAuthorMagnetic moments-
dc.subject.keywordPlusIRON CLUSTERS-
dc.subject.keywordPlusELECTRONIC-STRUCTURE-
dc.subject.keywordPlusAGENTS-
dc.subject.keywordPlusMETAL-
dc.subject.keywordPlusPSEUDOPOTENTIALS-
dc.subject.keywordPlusCOMPLEXES-
dc.subject.keywordPlusSYSTEMS-
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