Berlin 2012 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 65: Transport Properties II (Theory)
HL 65.5: Talk
Wednesday, March 28, 2012, 18:00–18:15, ER 164
The effect of edge reconstruction in the electronic transport through transition metal dichalcogenide nanoribbons — •Mahdi Ghorbani Asl1,2, Agnieszka Kuc1, Gerd Schön2, and Thomas Heine1 — 1Research Center for Functional Materials and Nanomolecular Science, Jacobs University Bremen, Bremen, Germany — 2Institut für Theoretische Festkörperphysik, Karlsruher Institut für Technologie (KIT), Karlsruhe, Germany
Transition metal dichalcogenides, TX2 (T = Mo and W; X = S, Se, and Te), have become a focus of the substantial recent research, especially in their 2D crystalline forms in the wake of comprehensive research on graphene. Recent experiments have demonstrated that TX2 exhibit promising potentials for the next generation electronics [1]. However, a nanoflake or a nanoribbon can show different physical properties because of quantum confinement effects. In particular, edge atoms may influence the electronic transport properties of such low-dimensional materials. Using density functional based tight-binding (DFTB) method [2] combined with the Green's function technique [3], we have developed a code for coherent quantum transport calculations. We investigate the electron transport properties with a focus on the nature of the edge states in different type of nanoribbons.
[1] B. Radisavljevic, A. Radenovic, J. Brivio, V. Giacometti1 and A. Kis, Nature Nanotech 6, 147 (2011). [2] G. Seifert, D. Porezag, and T. Frauenheim, Int. J. Quantum Chemistry 58, 185 (1996) [3] S. Datta, Quantum transport: Atom to transistor, Cambridge University Press (2005).