Berlin 2015 – wissenschaftliches Programm
DS 1.13: Vortrag
Montag, 16. März 2015, 12:30–12:45, H 2032
Charge and spin transfer materials for molecular electronic and spintronic applications — •Torsten Hahn, Simon Liebing, and Jens Kortus — TU Freiberg, Institut für Theoretische Physik, Leipziger Str. 23, 09599 Freiberg
The combination of different functionalized metal phthalocyanines was found to lead to novel charge- and spin transfer compounds [1,2]. The recently synthesized picene / F4TCNQ charge transfer salt  also shows promising physical properties and the theoretical modeling predicts the material to act as a molecular diode with high rectification ratio . Based on density-functional theory calculations we show that in case of the metal phthalocyanines as well as for the picene / F4TCNQ system hybrid states formed by the donor / acceptor system are playing the key role to determine the spectroscopic and quantum transport properties. We further conclude that the tuning of quantum transport properties through hybrid states is a general concept which opens a new route towards functional materials for molecular electronics.
 R. Friedrich et al., Phys. Rev. B 87, 115423 (2013).  R. Friedrich, B. Kersting, and J. Kortus, Phys. Rev. B 88, 155327 (2013).  Mahns, B. et. al., Cryst. Growth and Design 14, 1338-1346 (2014).  T. Hahn, S. Liebing, and J. Kortus, Nanoscale 6, 14508 (2014).