The electronic structure of cobalt phthalocyanine |
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Authors: | V V Maslyuk V Y Aristov O V Molodtsova D V Vyalikh V M Zhilin Y A Ossipyan T Bredow I Mertig and M Knupfer |
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Institution: | 1.Martin-Luther-Universit?t Halle-Wittenberg,Institut für Physik,Halle,Germany;2.IFW Dresden,Dresden,Germany;3.Institute of Solid State Physics,Russian Academy of Sciences,Chernogolovka,Russia;4.Institute of Solid State Physics,TU Dresden,Dresden,Germany;5.Institute for Physical and Theoretical Chemistry,Bonn University,Bonn,Germany |
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Abstract: | The electronic structure and morphology of organic semiconducting cobalt-phtalocyanine (CoPc) films in situ prepared on the
Au(001)-5×20 superstructure have been studied by a combination of experimental and theoretical work. The CoPc molecular film
was characterized by photoemission spectroscopy (PES, valence band and core-level). The experimental results were simulated
and have been explained in the framework of density functional theory (DFT) calculations. The C 1s and N 1s core level spectra were analyzed by taking into account the fact that both types of atoms have different nonequivalent positions
in the molecule. And finally, the experimentally obtained electronic valence band structure of CoPc is in very good agreement
with ab initio density of state results, allowing a detailed site-specific insight into the system. |
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Keywords: | PACS" target="_blank">PACS 71 20 -b 72 80 Le 73 30 +y |
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