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

被引:76
作者
Haverkort, M. W. [1 ]
Tanaka, A. [2 ]
Tjeng, L. H. [1 ]
Sawatzky, G. A. [3 ]
机构
[1] Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany
[2] Hiroshima Univ, ADSM, Dept Quantum Matter, Higashihiroshima 7398530, Japan
[3] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada
关键词
D O I
10.1103/PhysRevLett.99.257401
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
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