Nonresonant inelastic x-ray scattering involving excitonic excitations: the examples of NiO and CoO

In a recent publication Larson et al. reported remarkably clear d-d excitations for NiO and CoO with x-ray scattering. Here we present an accurate quantitative description based on a local many body approach, beyond local density approximation + Hubbard U approximations. The magnitude of q[over --&g...

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Bibliographic Details
Published in:Physical review letters 2007-12, Vol.99 (25), p.257401-257401, Article 257401
Main Authors: Haverkort, M W, Tanaka, A, Tjeng, L H, Sawatzky, G A
Format: Article
Language:English
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Summary:In a recent publication Larson et al. reported remarkably clear d-d excitations for NiO and CoO with x-ray scattering. Here we present an accurate quantitative description based on a local many body approach, beyond local density approximation + Hubbard U approximations. The magnitude of q[over -->] determines which of the allowed multipoles contributes most to the spectra. The direction of q[over -->] with respect to the crystal can be used as an equivalent to polarization similar to electron energy loss spectroscopy, allowing for a determination of the local symmetry of the initial and final states. This method is more generally applicable and could be a powerful tool for the study of local distortions and symmetries in transition metal and rare earth compounds.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.99.257401