Correlation effects in the electronic structure of the Mn4 molecular magnet

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Erscheinungsjahr:
2008
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Text
Beschreibung:
  • We present joint theoretical-experimental study of correlation effects in the electronic structure of (pyH)3[Mn4O3Cl7(OAc)3]⋅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 (1.8eV) agrees well with the results of optical conductivity measurements, while other methods, which neglect many-body effects or treat them in a simplified manner, do not provide such an agreement. Strong electron correlations in Mn4 may have important implications for possible future applications.
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  • info:eu-repo/semantics/closedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/8002a593-19b7-48bf-ad60-be046d66b802