Berlin 2012 – scientific programme

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O: Fachverband Oberflächenphysik

O 41: Graphene III

O 41.4: Talk

Wednesday, March 28, 2012, 11:15–11:30, MA 041

Induced magnetism in transition metal intercalated graphitic systems — •Mousumi Upadhyay Kahaly, Thaneshwor Kaloni, and Udo Schwingenschlögl — KAUST, PSE Division, 23955-6900 Thuwal, Kingdom of Saudi Arabia

Inducing spin-polarization in graphene by doping transition metal (TM) atoms is interesting because it can modify the electronic states locally. Precise knowledge of the TM-C interaction is important for understanding carbon nanotube growth, fuel cells, and the role of implanted magnetic atoms, such as Fe, for the magnetic order. For these reasons, we will discuss first-principles results on the structure, chemical bonding, electronic properties, and the spin-polarization induced by Mn, Fe, Co, Ni, and Cu atoms intercalated between adjacent C layers in a three-dimensional graphitic network in aba and aaa stacking. Our results point to a strong preferential bonding of the transition metal atoms in specific lattice sites. The 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. Overcoming the fundamental problem of the high mobility of transition metal atoms in graphene, this preferential bonding and the selective induction of spin-polarization opens up a way to graphitic Kondo systems. Intercalated graphitic materials are likely to provide new possibilities for applications in spintronics and nanoelectronics.