All-electron many-body approach to resonant inelastic X-ray scattering
Christian Vorwerk1, Francesco Sottile2, Claudia Draxl1
1Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 2, Berlin, Germany. claudia.draxl@physik.hu-berlin.de.
Abstract:
We present a formalism for the resonant inelastic X-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturbation theory (MBPT) framework, which is realized in the full-potential package exciting. With the carbon K edge RIXS of diamond and the oxygen K edge RIXS of β-Ga2O3, respectively, we demonstrate the importance of electron-hole correlation and atomic coherence in the RIXS spectra.
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