Regensburg 2007 – wissenschaftliches Programm
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SYOE: Symposium Organic Thin Film Electronics: From Molecular Contacts to Devices
SYOE 8: Poster Session SYOE
SYOE 8.12: Poster
Dienstag, 27. März 2007, 18:00–20:00, Poster B
Experimental measurements and calculations of electronic structure of organic semiconductor copper phthalocyanine — •Olga Molodtsova1, Victor Aristov1,2, Volodymyr Maslyuk3, Denis Vyalikh4, Victor Zhilin2, Yurii Ossipyan2, Thomas Bredow5, Ingrid Mertig3, and Martin Knupfer1 — 1IFW Dresden, D-01069 Dresden, Germany — 2Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow distr., 142432, Russia — 3Martin-Luther-Universität at Halle-Wittenberg, Fachbereich Physik, Germany — 4Institute of Solid State Physics, TU Dresden, D-01069 Dresden, Germany — 5Institute for Physical and Theoretical Chemistry, Bonn University, D-53115 Bonn, Germany
The filled and unoccupied electronic states of the organic semiconductor copper phthalocyanine (CuPc) have been determined using a combination of experimental and theoretical techniques, by means of direct and resonant photoemission, near-edge x-ray absorption fine structure and quantum-chemical calculations at density-functional level. The experimentally obtained electronic states of CuPc are in excellent agreement with the results of ab initio density of states, allowing to derive the detailed site specific information. Our results are of general importance for understanding and tailoring of novel electronic properties, which may be achieved by, e.g. functionalisation or doping of phthalocyanines. The proposed approach to establish the site, element, and angular-momentum character specific electronic structure, especially of empty states, may readily be applied to other organic semiconductors.