Induced magnetism in transition metal intercalated graphitic systems
| Autor: | Kaloni, T. P., Kahaly, M. Upadhyay, Schwingenschlögl, U. |
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| Rok vydání: | 2012 |
| Předmět: | |
| Zdroj: | Journal of Materials Chemistry 21, 18681-18685 (2011) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1039/C1JM13527A |
| Popis: | 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 {\mu}B to 4.10 {\mu}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. Comment: 13 pages, 3 figures, 1 table |
| Databáze: | arXiv |
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