Dresden 2014 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 36: Posters: Bio/organic Molecules on Surfaces, Graphene, Solid/liquid interfaces, Metal Substrates, Electronic Structure Theory

O 36.58: Poster

Dienstag, 1. April 2014, 18:30–22:00, P1

Study of Spin-Polarized Behaviour in Cobalt Decorated Graphene — •Eamon McDermott¹, Paul Bazylewski², Gap Soo Chang², and Peter Blaha¹ — ¹Institute of Materials Chemistry, Vienna University of Technology, Austria — ²Department of Physics & Engineering Physics, University of Saskatchewan, Canada

Advances in sub-monolayer PVD deposition of metals on graphene have allowed us to consider the possibility of decorating graphene with magnetic species in the hope of controlling its electronic structure. Density Functional Theory calculations performed using WIEN2k, a scalar-relativistic, all-electron LAPW code, shows an opening of the band-gap of model Co-graphene systems, including those with oxidized Co and Co dimer decoration. When force-relaxed, the graphene layer remains unbuckled, even in the presence of a Co surface underneath the decorating atoms. Additionally, states near the Fermi level become spin polarized, suggesting the possibility of fabricating half-metallic Co-graphene devices.