Comment on Phys. Rev. Lett.'s paper "All-Electron Self-Consistent GW Approximation: Application to Si, MnO, and NiO": band vs localized description of NiO

Details Comment on Phys. Rev. Lett.'s paper "All-Electron Self-Consistent GW Approximation: Application to Si, MnO, and NiO": band vs localized description of NiO Comment on Phys. Rev. Lett.'s paper "All-Electron Self-Consistent GW Approximation: Application to Si, MnO, and NiO": band vs localized description of NiO

2006-05-23

arxiv.org/abs/cond-mat/0605567v1

Acta Physica 3 (2007) 29

Physics

Condensed Matter

Strongly Correlated Electrons

2 pages

Scientific paper

In contrary to authors of Phys. Rev. Lett. 93, 126406 (2004) claiming "the
band picture to be a reasonable starting point for the description of the
electronic structure of NiO, much better than the ligand-field picture", we
argue that the many-electron CEF approach is physically adequate starting point
for discussion of the electronic structure and magnetism of NiO.

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