Core-to-core RIXS of Transition Metals

Many technologically important compounds contain 3d transition metals, and their behavior depends on subtleties of their d electrons. X-ray emission and absorption spectroscopies at the metal L edge reveal information about the occupied and unoccupied d orbitals. However, the short penetration depth of these soft x-rays hinders measurements. Hard x-ray resonant inelastic x-ray scattering (RIXS) or high-energy resolution fluorescence detection (HERFD) techniques alleviate depth limitations while maintaining chemical sensitivity. These include measurements of 1s2p (Kα) fluorescence, 1s3p (Kβ) fluorescence, or valence RIXS. We have extended the Bethe-Salpeter equation approach within the ocean code to calculate core-to-core RIXS (1s2p and 1s3p). We present illustrative results for several transition metal compounds