Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules

Luis G.G.V. Dias Da Silva, Murilo L. Tiago, Sergio E. Ulloa, Fernando A. Reboredo, Elbio Dagotto

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    39 Scopus citations

    Abstract

    We use a combination of first-principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning-tunneling-spectroscopy measurements. We discuss the importance of many-body effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.

    Original languageEnglish
    Article number155443
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Volume80
    Issue number15
    DOIs
    StatePublished - Oct 21 2009

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