Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1982
Major/Subject
Mcode
Degree programme
Language
en
Pages
67-77
Series
Physical Review B, Volume 25, Issue 1
Abstract
Change in self-consistent-field energy 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, and the extra-atomic response is analyzed in detail, both in position and energy space. The adequacy of the "excited-atom" approach to the energy shifts is discussed.
Description
Keywords
sp-bonded metals, embedded-atom calculations
Other note
Citation
Nieminen, Risto M. & Puska, M. J. 1982. Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements. Physical Review B. Volume 25, Issue 1. 67-77. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.25.67.