A Radical Polymer as a Two-Dimensional Organic Half Metal

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dc.contributor.authorLee, ECko
dc.contributor.authorChoi, YCko
dc.contributor.authorKim, Woo Younko
dc.contributor.authorSingh, NJko
dc.contributor.authorLee, Sko
dc.contributor.authorShim, JHko
dc.contributor.authorKim, KSko
dc.date.accessioned2013-03-10T23:45:56Z-
dc.date.available2013-03-10T23:45:56Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2010-
dc.identifier.citationCHEMISTRY-A EUROPEAN JOURNAL, v.16, no.40, pp.12141 - 12146-
dc.identifier.issn0947-6539-
dc.identifier.urihttp://hdl.handle.net/10203/97710-
dc.description.abstractGiven that half-metals are promising futuristic materials for spintronics, organic materials showing half-metal character are highly desirable for spintronic devices, not only owing to their weak spin-orbit and hyperfine interactions, but also their light and flexible properties. We predict that a two-dimensional organic 2,4,6-tri-(1,3,5-tri-azinyl)methyl radical polymer has half-metallic properties as well as a spontaneous magnetic ordering at ambient temperature. The quantum transmission is studied based on the nonequilibrium Green function theory coupled with density functional theory. The half-metallic property in the triazine-based polymer depends mainly on the nature of the p-band in contrast to of conventional half metals in which the nature of the d-band is more important.-
dc.languageEnglish-
dc.publisherWILEY-V C H VERLAG GMBH-
dc.subjectZIGZAG GRAPHENE NANORIBBONS-
dc.subjectINITIO MOLECULAR-DYNAMICS-
dc.subjectTOTAL-ENERGY CALCULATIONS-
dc.subjectWAVE BASIS-SET-
dc.subjectSPIN TRANSPORT-
dc.subjectCARBON NANOTUBE-
dc.subjectMAGNETORESISTANCE-
dc.subjectSPINTRONICS-
dc.subjectFILMS-
dc.subjectMETALLICITY-
dc.titleA Radical Polymer as a Two-Dimensional Organic Half Metal-
dc.typeArticle-
dc.identifier.wosid000284060200016-
dc.identifier.scopusid2-s2.0-78249256319-
dc.type.rimsART-
dc.citation.volume16-
dc.citation.issue40-
dc.citation.beginningpage12141-
dc.citation.endingpage12146-
dc.citation.publicationnameCHEMISTRY-A EUROPEAN JOURNAL-
dc.identifier.doi10.1002/chem.201000858-
dc.contributor.localauthorKim, Woo Youn-
dc.contributor.nonIdAuthorLee, EC-
dc.contributor.nonIdAuthorChoi, YC-
dc.contributor.nonIdAuthorSingh, NJ-
dc.contributor.nonIdAuthorLee, S-
dc.contributor.nonIdAuthorShim, JH-
dc.contributor.nonIdAuthorKim, KS-
dc.type.journalArticleArticle-
dc.subject.keywordAuthorgraphene-
dc.subject.keywordAuthormolecular modeling-
dc.subject.keywordAuthororganic half metals-
dc.subject.keywordAuthororganic electronics-
dc.subject.keywordAuthorradicals-
dc.subject.keywordPlusZIGZAG GRAPHENE NANORIBBONS-
dc.subject.keywordPlusINITIO MOLECULAR-DYNAMICS-
dc.subject.keywordPlusTOTAL-ENERGY CALCULATIONS-
dc.subject.keywordPlusWAVE BASIS-SET-
dc.subject.keywordPlusSPIN TRANSPORT-
dc.subject.keywordPlusCARBON NANOTUBE-
dc.subject.keywordPlusMAGNETORESISTANCE-
dc.subject.keywordPlusSPINTRONICS-
dc.subject.keywordPlusFILMS-
dc.subject.keywordPlusMETALLICITY-
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