2001/01/09 by Jianmin Yuan, Yuan, Jianmin
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el) #Surface and Thin Film Phenomena #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.cond-mat/0101106
revtex, 11 ps-figures
arxiv created 2001/01/09 · openalex publication_date 2001/01/09 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Supercell method is used to study the relaxation and screening effects during the Auger transition in metals. In order to make the interaction between the core-holes sited at different atoms negligible, the real metal is simulated by supercells repeated periodically. The electronic states concerned by the Auger transition are calculated by using FLAPW method. The occurrence of both bandlike and quasi-atomiclike Auger spectra across transition metal series is related clearly to the different responses of these metals to the existence of a core-hole depending on whether their d-bands are partially or completely filled. As examples, L3VV and M1VV Auger spectral profiles of Cu have been calculated in a reasonably well agreement with experiment. The hole-hole interaction is considered explicitly in the calculation to give the multi-splitting in the quasi-atomiclike Auger spectra.