Electronic structure of a Mn-6 (S=4) single molecule magnet grafted on Au(111) (Articolo in rivista)

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  • Electronic structure of a Mn-6 (S=4) single molecule magnet grafted on Au(111) (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.77.085419 (literal)
Alternative label
  • Del Pennino U., Corradini, V., Biagi R., De Renzi V., Moro F., Boukhvalov D.W., Panaccione G., Hochstrasser M., Carbone C., Milios C.J., Brechin E.K. (2008)
    Electronic structure of a Mn-6 (S=4) single molecule magnet grafted on Au(111)
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Del Pennino U., Corradini, V., Biagi R., De Renzi V., Moro F., Boukhvalov D.W., Panaccione G., Hochstrasser M., Carbone C., Milios C.J., Brechin E.K. (literal)
Pagina inizio
  • 085419 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 77 (literal)
Rivista
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  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
  • Google Scholar (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Modena & Reggio Emilia, INFM S3, I-41100 Modena, Italy Univ Modena & Reggio Emilia, Dipartimento Fis, I-41100 Modena, Italy INFM S3 Natl Ctr Nanostruct & Biosyst Surfaces S3, I-41100 Modena, Italy TASC INFM Beamline APE, I-34012 Trieste, Italy Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 ED Nijmegen, Netherlands Isituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, I-34100 Trieste, Italy Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian Scotland (literal)
Titolo
  • Electronic structure of a Mn-6 (S=4) single molecule magnet grafted on Au(111) (literal)
Abstract
  • Single molecule magnets (SMMs) form a new class of magnetic materials consisting of identical nanoscale particles that can show magnetization in the absence of a magnetic field. We have experimentally and theoretically investigated the low-spin (S=4) member of the Mn6 SMM family, properly functionalized with two 3-thiophenecarboxylate (3tpc) ligands in order to graft it on to a Au(111) surface. We report the theoretical density of states calculated within the local density approximation (LDA) scheme accounting for the on-site Coulomb repulsion (LDA+U) for U values ranging from 0 to 8 eV. On the experimental side, by exploiting resonant photoemission at the Mn 2p edge, we were able to single out the Mn 3d derived states in the valence band energy region for a submonolayer distribution of Mn6-3tpc deposited on Au(111). From the comparison between the experimentally derived 3d density of states and the theoretical one, we found that the best agreement occurs for a U value of 4 eV. From the binding energy of Mn 2p(3/2) core line, measured in situ, we also derived a value for the 2p-3d correlation energy of about 5 eV-in agreement with previous determination. (literal)
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