2006/01/11 by J. J. Rehr, Rehr, J. J., J. J. Kas +14
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Other Condensed Matter (cond-mat.other) #X-ray Diffraction in Crystallography #cond-mat.mtrl-sci #cond-mat.other
paper · pdf · doi:10.48550/arxiv.cond-mat/0601241
10 pages, 4 figures, 1 Table
arxiv created 2006/01/11 · openalex publication_date 2006/01/11 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Ab initio approaches are introduced for calculations of inelastic losses and vibrational damping in core level x-ray and electron spectroscopies. From the dielectric response function we obtain system-dependent self-energies, inelastic mean free paths, and losses due to multiple-electron excitations, while from the dynamical matrix we obtain phonon spectra and Debye-Waller factors. These developments yield various spectra and optical constants from the UV to x-ray energies in aperiodic materials, and significantly improve both the near edge and extended fine structure.