Density-functional calculations of auger and x-ray photoemission shifts for metallic elements

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Research units

  • University of Jyväskylä


ΔSCF density-functional calculations are reported for Auger, and core level binding energy shifts in sp-bonded metals. The basic model, atom-in-jellium-vacancy, gives good agreement with experiment, especially in the Auger case. The chemical and relaxation contributions to the shifts are discussed. The shifts are calculated also by using the thermochemical model and the results obtained are in agreement with experimental data. The applicability of the "excited-atom" approach to the Auger energy shifts is found restricted.


Original languageEnglish
Pages (from-to)708-712
Number of pages5
JournalPhysica Scripta
Issue number6A
Publication statusPublished - 1 Jun 1982
MoE publication typeA1 Journal article-refereed

ID: 6505122