Dresden 2014 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 57: Graphene: Transport (with MA/O/TT)
HL 57.5: Talk
Wednesday, April 2, 2014, 10:30–10:45, POT 051
Numerically exact approach to transport properties of disordered two-dimensional materials — •Stefan Barthel1,2, Malte Rösner1,2, Fernando Gargiulo3, Oleg V. Yazyev3, and Tim O. Wehling1,2 — 1Institut für Theoretische Physik, Universität Bremen, Germany — 2Bremen Center for Computational Materials Science, Universität Bremen, Germany — 3Institute of Theoretical Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland
We present a numerical method for modeling electron transport in disordered two-dimensional materials such as graphene with resonant impurities. Covalently bonded adatoms, such as hydrogen, modify the electronic structure and transport properties of graphene in the diffusive as well as localized regime in which quantum corrections become important. The electronic structure is described using a tight-binding model involving pz-orbitals on a honeycomb lattice, whereas the transport properties are evaluated in the linear response approximation (Kubo-Greenwood) using the kernel polynomial method as a solver. By combining these methods we gain access to large systems containing up to 10^6 atoms. These results are compared to the ones obtained using the Landauer-Büttiker approach in the above-mentioned transport regimes.