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arXiv · 1206.5723

Induced magnetism in transition metal intercalated graphitic systems

T. P. Kaloni·M. Upadhyay Kahaly·U. Schwingenschlögl
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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 {\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.

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T. P. Kaloni, M. Upadhyay Kahaly, U. Schwingenschlögl. 2012-06-25. Induced magnetism in transition metal intercalated graphitic systems. https://doi.org/10.1039/c1jm13527a

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