Journal
PHYSICAL REVIEW B
Volume 80, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.245402
Keywords
ab initio calculations; adsorbed layers; cobalt compounds; Fermi level; gold; organic compounds; scanning tunnelling microscopy; scanning tunnelling spectroscopy
Funding
- Korean Government [KRF-2004-005-C00060, R01-2007-000-11545-0, M10503000187-05M030018710]
- Korea university
- SRC (Quantum Metamaterials Research Center) [R11-2008-053-03001-0]
- National Research Foundation of Korea [R01-2007-000-11545-0] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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The intramolecular structure of a Co-porphyrin molecule adsorbed on Au(111) is studied using scanning tunneling microscopy and spectroscopy. As the energy is swept from -2 to +2 eV across Fermi level, the shape of the molecular image dramatically evolves from a two-lobed object to a shape with a bright center and, finally, to a four-lobed object. With the help of first-principles calculations, we explain these distinctive features in terms of the integrated molecular orbitals of a saddle conformation and the contribution of a Kondo state. Based on the molecular structure and the orbitals, we explain why the modification in the electronic states of the molecules by the presence of the substrate is relatively modest.
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