Correlation effects in the electronic structure of the Mn4 molecular magnet

  title={Correlation effects in the electronic structure of the Mn4 molecular magnet},
  author={Danil W. Boukhvalov and L. I. Vergara and Viatcheslav V. Dobrovitski and Mikhail I. Katsnelson and Alexander I. Lichtenstein and Paul Kogerler and Janice L. Musfeldt and B. N. Harmon},
  journal={Physical Review B},
We present joint theoretical-experimental study of correlation effects in the electronic structure of pyH3Mn4O3Cl7OAc3 · 2MeCN molecular magnet Mn4. Describing the many-body effects by cluster dynamical mean-field theory, we find that Mn4 is predominantly a Hubbard insulator with strong electron correlations. The calculated electron gap 1.8 eV agrees well with the results of optical conductivity measurements, while other methods, which neglect many-body effects or treat them in a simplified… Expand
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Optical Properties of Solids
Optical Properties of Solids ͑Academic
  • 1972
Substrate may induce intermolecule spin order, see
  • Nat. Mater