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Nonresonant Inelastic X-Ray Scattering Involving Excitonic Excitations: The Examples of NiO and CoO

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Zitation

Haverkort, M. W., Tanaka, A., Tjeng, L. H., & Sawatzky, G. A. (2007). Nonresonant Inelastic X-Ray Scattering Involving Excitonic Excitations: The Examples of NiO and CoO. Physical Review Letters, 99(25): 257401, pp. 1-4. doi:10.1103/PhysRevLett.99.257401.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0019-0F2B-0
Zusammenfassung
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 determines which of the allowed multipoles contributes most to the spectra. The direction of q 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.