Detailed Information

Cited 0 time in webofscience Cited 0 time in scopus
Metadata Downloads

Ab initio Study on Adsorption of Transition-Metal Phthalocyanine on a Quasi-One-Dimensional Metallic Surface, In/Si(111)-4x1

Full metadata record
DC Field Value Language
dc.contributor.authorHyun, Jung-Min-
dc.contributor.authorKim, Miyoung-
dc.contributor.authorKim, Hanchul-
dc.date.available2021-02-22T06:46:04Z-
dc.date.issued2019-02-
dc.identifier.issn0374-4884-
dc.identifier.issn1976-8524-
dc.identifier.urihttps://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/3825-
dc.description.abstractTransition-metal containing metal phthalocyanine (MPc) molecules are representative molecular magnets and their adsorption on two-dimensional metallic surfaces has been extensively studied. In/Si(111)-4x1 is a prototypical quasi-one-dimensional metallic surface made up of alternating In nanowires and Si Seiwatz chains. Here, we investigated the adsorption of MPc (M = Mn, Fe, Co) on In/Si(111)-4x1 using density functional theory calculations. We found that there are three locally stable adsorption sites of MPc, two on In nanowires and one on Seiwatz chains. Also, the stable orientation of MPc is different depending on adsorption sites. Among three MPc's, MnPc are found to carry a finite magnetic moment of 1.6 similar to 2.1 mu(B) in its three almost-degenerate adsorption structures. The interaction between MPc molecules and the In/Si(111)-4x1 surface turns out to occur via the charge transfer, and the charge transfer channel varies for different adsorption sites: Transition-metal 3d(z)(2) and two N 2p(z) orbitals on In nanowires vs. four N 2p(z) orbitals on Seiwatz chains.-
dc.format.extent5-
dc.language영어-
dc.language.isoENG-
dc.publisherKOREAN PHYSICAL SOC-
dc.titleAb initio Study on Adsorption of Transition-Metal Phthalocyanine on a Quasi-One-Dimensional Metallic Surface, In/Si(111)-4x1-
dc.typeArticle-
dc.publisher.location대한민국-
dc.identifier.doi10.3938/jkps.74.251-
dc.identifier.scopusid2-s2.0-85061718254-
dc.identifier.wosid000459205800009-
dc.identifier.bibliographicCitationJOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.74, no.3, pp 251 - 255-
dc.citation.titleJOURNAL OF THE KOREAN PHYSICAL SOCIETY-
dc.citation.volume74-
dc.citation.number3-
dc.citation.startPage251-
dc.citation.endPage255-
dc.type.docTypeArticle-
dc.identifier.kciidART002437189-
dc.description.isOpenAccessN-
dc.description.journalRegisteredClasssci-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.description.journalRegisteredClasskci-
dc.relation.journalResearchAreaPhysics-
dc.relation.journalWebOfScienceCategoryPhysics, Multidisciplinary-
dc.subject.keywordPlusTHIN-FILM TRANSISTORS-
dc.subject.keywordPlusPTCDA-
dc.subject.keywordPlusWAVE-
dc.subject.keywordAuthorMolecular magnet-
dc.subject.keywordAuthorMetal phthalocyanine-
dc.subject.keywordAuthorAdsorption-
dc.subject.keywordAuthorIndium nanowire-
dc.subject.keywordAuthorCharge transfer-
dc.identifier.urlhttps://link.springer.com/article/10.3938/jkps.74.251-
Files in This Item
Go to Link
Appears in
Collections
ICT융합공학부 > 응용물리전공 > 1. Journal Articles

qrcode

Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.

Related Researcher

Researcher Kim, Mi Young photo

Kim, Mi Young
첨단소재·전자융합공학부 (신소재물리전공)
Read more

Altmetrics

Total Views & Downloads

BROWSE