Induced magnetism in transition metal intercalated graphitic systems

Handle URI:
http://hdl.handle.net/10754/315766
Title:
Induced magnetism in transition metal intercalated graphitic systems
Authors:
Kaloni, Thaneshwor P.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Upadhyay Kahaly, M.
Abstract:
We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density functional theory, we find induced spin-polarization of the C atoms both when the graphene sheets are aba stacked (forming graphite) and aaa stacked (resembling bi-layer graphene). The magnetic moment induced by Mn, Fe, and Co turns out to vary from 1.38 μB to 4.10 μB, whereas intercalation of Ni and Cu does not lead to a magnetic state. The selective induction of spin-polarization can be utilized in spintronic and nanoelectronic applications.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Kaloni TP, Kahaly MU, Schwingenschlögl U (2011) Induced magnetism in transition metal intercalated graphitic systems. J Mater Chem 21: 18681. doi:10.1039/c1jm13527a.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Journal of Materials Chemistry
Issue Date:
26-Oct-2011
DOI:
10.1039/c1jm13527a
ARXIV:
arXiv:1206.5723
Type:
Article
ISSN:
0959-9428; 1364-5501
Additional Links:
http://xlink.rsc.org/?DOI=c1jm13527a; http://arxiv.org/abs/1206.5723
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorUpadhyay Kahaly, M.en
dc.date.accessioned2014-04-13T12:43:16Z-
dc.date.available2014-04-13T12:43:16Z-
dc.date.issued2011-10-26en
dc.identifier.citationKaloni TP, Kahaly MU, Schwingenschlögl U (2011) Induced magnetism in transition metal intercalated graphitic systems. J Mater Chem 21: 18681. doi:10.1039/c1jm13527a.en
dc.identifier.issn0959-9428en
dc.identifier.issn1364-5501en
dc.identifier.doi10.1039/c1jm13527aen
dc.identifier.urihttp://hdl.handle.net/10754/315766en
dc.description.abstractWe investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density functional theory, we find induced spin-polarization of the C atoms both when the graphene sheets are aba stacked (forming graphite) and aaa stacked (resembling bi-layer graphene). The magnetic moment induced by Mn, Fe, and Co turns out to vary from 1.38 μB to 4.10 μB, whereas intercalation of Ni and Cu does not lead to a magnetic state. The selective induction of spin-polarization can be utilized in spintronic and nanoelectronic applications.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://xlink.rsc.org/?DOI=c1jm13527aen
dc.relation.urlhttp://arxiv.org/abs/1206.5723en
dc.rightsArchived with thanks to Journal of Materials Chemistryen
dc.titleInduced magnetism in transition metal intercalated graphitic systemsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Materials Chemistryen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionCrystallography, Solid State and Materials Laboratory (Cryssmat-Lab), Facultad de Química, Universidad de la República, Gral. Flores 2124, Montevideo, Uruguayen
dc.contributor.institutionCentro NanoMat, Facultad de Química, Universidad de la República, Cno. Aparicio Saravia s/n, 91000 Pando, Canelones, Uruguayen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
dc.identifier.arxividarXiv:1206.5723en
kaust.authorKaloni, Thaneshwor P.en
kaust.authorKahaly, M. Upadhyayen
kaust.authorSchwingenschlögl, Udoen
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