Induced magnetism in transition metal intercalated graphitic systems
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...
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| Published in | Journal of materials chemistry Vol. 21; no. 46; pp. 18681 - 18685 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
01.01.2011
|
| Online Access | Get full text |
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| Summary: | 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
μ
B
to 4.10
μ
B
, 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.
We investigate the effect of transition metal intercalation on the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network. |
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| ISSN: | 0959-9428 1364-5501 |
| DOI: | 10.1039/c1jm13527a |