Nature of the electronic band gap in lanthanide oxides.

  title={Nature of the electronic band gap in lanthanide oxides.},
  author={Roland Gillen and Stewart J. Clark and John Robertson},
  journal={Physical Review B},
Accurate electronic structures of the technologically important lanthanide/rare-earth sesquioxides (Ln${}_{2}$O${}_{3}$, with $\text{Ln}=\text{La},\ensuremath{\cdots},$Lu) and CeO${}_{2}$ have been calculated using hybrid density functionals HSE03, HSE06, and screened exchange (sX-LDA). We find that these density functional methods describe the strongly correlated Ln $f$ electrons as well as the recent ${G}_{0}{W}_{0}$@LDA$+U$ results, generally yielding the correct band gaps and trends across… 

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