Induced magnetism in transition metal intercalated graphitic systems
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ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2011-10-26Preprint Posting Date
2012-06-25Online Publication Date
2011-10-26Print Publication Date
2011Permanent link to this record
http://hdl.handle.net/10754/315766
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Show full item recordAbstract
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.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 ChemistryarXiv
1206.5723Additional Links
http://xlink.rsc.org/?DOI=c1jm13527ahttp://arxiv.org/abs/1206.5723
ae974a485f413a2113503eed53cd6c53
10.1039/c1jm13527a