Overlap of Cu3d and F2p orbitals and low-energy excitations in KCuF3 studied by polarization-dependent x-ray absorption and emission spectroscopy (Articolo in rivista)

Type
Label
  • Overlap of Cu3d and F2p orbitals and low-energy excitations in KCuF3 studied by polarization-dependent x-ray absorption and emission spectroscopy (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.79.115120 (literal)
Alternative label
  • Bondino, F.; Malvestuto, M.; Magnano, E.; Zangrando, M.; Zacchigna, M.; Ghigna, P.; Parmigiani, F. (2009)
    Overlap of Cu3d and F2p orbitals and low-energy excitations in KCuF3 studied by polarization-dependent x-ray absorption and emission spectroscopy
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bondino, F.; Malvestuto, M.; Magnano, E.; Zangrando, M.; Zacchigna, M.; Ghigna, P.; Parmigiani, F. (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 79 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR-INFM, Laboratorio Nazionale TASC, Basovizza-Trieste, I-34012, Italy Sincrotrone Trieste S.C.p.A., Basovizza-Trieste I-34012, Italy Dipartimento di Chimica Fisica M. Rolla, Università di Pavia, V.le Taramelli 16, I-27100 Pavia, Italy Dipartimento di Fisica, Università Degli Studi di Trieste, I-34124 Trieste, Italy (literal)
Titolo
  • Overlap of Cu3d and F2p orbitals and low-energy excitations in KCuF3 studied by polarization-dependent x-ray absorption and emission spectroscopy (literal)
Abstract
  • Site-, elemental-, and orbital-resolved partial density of states in KCuF3 single crystal have been obtained by polarization-dependent x-ray absorption and emission spectroscopy measurements across the FK -edge and ab initio full-multiple-scattering cluster calculations. The FK x-ray absorption spectroscopy spectra show well-defined polarization dependence. The measurements reveal strong overlap between Cu3d and F2p states and identify clearly the F2 pz and F2 px,y empty states created at different F sites. The calculations, performed for the nonequivalent F sites in the structure, confirm the energy overlap, the charge transfer between Cu3d and F2p states, and the different F2p-Cu3d overlap for the two nonequivalent F sites of KCuF3. Across the FK edge, resonant x-ray emission spectroscopy detects a broad peak due to d-d excitations centered at about 1.2-1.6 eV and an intense charge-transfer-like transition around 7 eV. © 2009 The American Physical Society. (literal)
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