Induced magnetism in transition metal intercalated graphitic systems
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Preprint Posting Date2012-06-25
Online Publication Date2011-10-26
Print Publication Date2011
Permanent link to this recordhttp://hdl.handle.net/10754/315766
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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.
CitationKaloni TP, Kahaly MU, Schwingenschlögl U (2011) Induced magnetism in transition metal intercalated graphitic systems. J Mater Chem 21: 18681. doi:10.1039/c1jm13527a.
PublisherRoyal Society of Chemistry (RSC)
JournalJournal of Materials Chemistry