Induced magnetism in transition metal intercalated graphitic systems

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 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.

arXiv comment13 pages, 3 figures, 1 table

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• Band gap modulation in polythiophene and polypyrrole-based systems
• Modelling magnetism of C at O and B monovacancies in graphene
• Dirac Cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals
• Quantum phase transitions into Kondo states in bilayer graphene
• Fluorine Intercalated Graphene: Formation of a 2D Spin Lattice through Pseudoatomization