The electronic structure of lanthanide doped compounds with 3d, 4d, 5d, or 6d conduction band states

The chemical shift model of electronic binding energies will be applied to the lanthanides in T O2 and MT O3 compounds where T is the cation Ti4+, Zr4+, Ce4+, Hf4+, or Th4+ and M is the alkaline earth cation Ba2+, Sr2+, or Ca2+. As input, data from lanthanide spectroscopy will be used to generate the binding energies of electrons in all lanthanide impurity states and in the valence band and conduction band states of the host compound. In these compounds the bottom of the conduction band has a strong nd-orbital character (n=3, 4, 5, and 6 for titanates, zirconates, hafnates, and thorates, respectively). Electronic structure diagrams are determined that show the valence band and conduction band energy together with all lanthanide impurity level energies relative to the vacuum level. They reveal clear trends when n increases that has profound consequences for the lanthanide luminescence properties.