Berlin 2015 – wissenschaftliches Programm
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DS: Fachverband Dünne Schichten
DS 1: Organic Electronics and Photovoltaics
DS 1.11: Vortrag
Montag, 16. März 2015, 12:00–12:15, H 2032
Charge transfer, optical and transport properties in pure organic heterostructures — •Liebing Simon, Hahn Torsten, and Kortus Jens — Institute of Theoretical Physics, TU Bergakademie Freiberg, Leipziger Strasse 23, 09599 Freiberg
We will present theoretical investigation on pure charge transfer materials within the density functional theory framework (DFT). Starting from the recently fabricated picene-F4TCNQ [1] we explore the electronic and optical properties of novel representatives of this new class of materials. These representatives are formed of polycyclic hydrocarbons and TCNQ derivatives and we compare our results with experimental spectroscopic data.
The picene-F4TCNQ system shown pronounced diode transistor behavior [2]. By means of DFT/NEGF (non equilibrium green function formalism) [3,4] we obtain the IV-characteristics of selected model devices for these systems. The formation of hybrid orbitals together with intrinsic charge transfer seems to be the origin of the novel electronic and transport properties [5].
[1] Mahns, B. et. al. Crystal Growth & Design (2014). [2] Hahn T., Liebing S., and Kortus J., Nanoscale 6, 14508 (2014). [3] Pederson, M. et. al. Phys. Status Solidi b 217, 197. (2000) [4] Enkovaara, J. et al. Journal of Physics: Condensed Matter 22, 253202 (2010). [5] Lindner S. et. al. Phys. Rev. Lett. 109, 027601 (2012).