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- W4386655751 abstract "We present an ab initio study of core excitations at the aluminum K and L1 edges in ${alpha}$-Al2O3 within an all-electron many-body perturbation theory (MBPT) framework. Calculated XAS reveals excellent agreement with experiments, highlighting the dipole-forbidden nature of the pre-peak, which in experiments is enabled by sp mixing due to atomic vibrations. Non-resonant inelastic X-ray scattering (NRIXS) is employed to go beyond the dipole approximation and probe transition channels with s, p, and d character, enhancing multipole transitions that contribute to the pre-peak. The RIXS spectra at K and L1 edges are remarkably similar, opening the way to soft X-ray RIXS experiments to probe semi-core s states. The RIXS calculations reveal two distinct regimes based on the behavior with incoming photon energy ($omega_1$). For $omega_1$ in resonance with the XAS threshold, we observe Raman-like behavior, where the RIXS spectra show significant dependence on $omega_1$ , reflecting the coupling between absorption and emission processes. For higher $omega_1$ , above the XAS threshold, the study reveals fluorescence features that appear at constant emission energy, and can be explained via X-ray emission spectroscopy (XES)." @default.
- W4386655751 created "2023-09-13" @default.
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- W4386655751 date "2023-09-11" @default.
- W4386655751 modified "2023-10-18" @default.
- W4386655751 title "Connection between inelastic x-ray scattering and complementary x-ray spectroscopies: probing excitons at Al K and L1 edges of $alpha$-Al$_2$O$_3$" @default.
- W4386655751 doi "https://doi.org/10.48550/arxiv.2309.05609" @default.
- W4386655751 hasPublicationYear "2023" @default.
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