Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements
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© 1982 American Physical Society (APS). This is the accepted version of the following article: 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, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.25.67.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Authors
Date
1982
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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
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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.