Abstract
An efficient technique for calculating x-ray Raman scattering spectra at the edge in the framework of a single-particle theory is presented. It is based on a recursive method to compute the dynamic structure factor as a continued fraction without requiring the explicit calculation of high-lying unoccupied electronic states. Multipole transitions are calculated to provide a full account of the -dependence of edges recorded in a series of lithium-bearing reference compounds, namely , , , and LiF. The good agreement obtained between experimental and theoretical spectra validates our approach and provides a solid foundation for analyzing edges beyond the dipole approximation.
- Received 28 August 2018
DOI:https://doi.org/10.1103/PhysRevB.98.214104
©2018 American Physical Society