Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra.

摘要: The electronic structures of a wide range early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ formal d-electron numbers 0 2, have been investigated by configuration-interaction cluster model analysis the core-level 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated experimentally measured electron-energy-loss (EELS) were subtracted XPS remove extrinsic loss features. Parameter values deduced for charge-transfer energy Delta d-d Coulomb repulsion U are shown continue systematic trends established previously late TM giving support mechanism satellite structures. compounds characterized large d-ligand p hybridization energy, resulting in strong covalency these compounds. Values suggest that many should be reclassified as intermediate between regime Mott-Hubbard regime.