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Berlin 2015 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 85: Topological Insulators 2 (MA with HL/TT)

HL 85.7: Talk

Thursday, March 19, 2015, 16:30–16:45, EB 202

first principle study of structural, electronic and magnetic properties of graphene nanoribbons deposited on the topological insulator Sb2Te3wei zhang1,2, •farideh hajiheidari1, yan li1,3, manuel j. schmidt1, and riccardo mazzarello1,41Institute for Theoretical Solid State Physics, RWTH Aachen University, D-52074 Aachen, Germany — 2Institute of Physics (IA), RWTH Aachen University, 52056 Aachen, Germany — 3IEK-6, Forschungszentrum Jülich, D-52425 Jülich, Germany — 4JARA-FIT and JARA-HPC, RWTH Aachen University, D-52074 Aachen, Germany

Magnetic perturbations are known to affect the surface properties of a topological insulator (TI) dramatically. According to mean-field calculations, zigzag graphene nanoribbons (zGNRs) possess spin-polarized edge states. Hence, zGNRs deposited on a TI could be a promising candidate for an experimental investigation of proximity effects between a magnetic system and a TI. In this work, we carry out a first-principles investigation based on density functional theory of zGNRs on the Sb2Te3 (001) surface. We use gradient-corrected density functionals in combination with semi-empirical van der Waals corrections. Both H-free and H-terminated zGNRs are considered. In the case of H-free zGNRs, the strong interaction between the edge atoms and the TI surface is shown to lead to the bending of the zGNRs , however, the edge magnetism is preserved. Moreover, the magnetic anisotropy axis is perpendicular to the surface of the substrate. In the H-terminated case, on the other hand, the interaction is less significant and edge magnetism is fully preserved.

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