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Theory of Auger core-valence-valence processes in simple metals. II. Dynamical and surface effects on Auger line shapes

Almbladh, Carl-Olof LU and Morales, Alvaro Luis (1989) In Physical Review B 39(6). p.3503-3516
Abstract
Auger CVV spectra of simple metals are generally believed to be well described by one-electron-like theories in the bulk which account for matrix elements and, in some cases, also static core-hole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using self-consistent bulk wave functions and proper matrix elements. The resulting spectra differ markedly from experiment and peak at too low energies. To explain this discrepancy we investigate effects of the surface and dynamical effects of the sudden disappearance of the core hole in the final state. To study core-hole effects we solve Mahan-Nozières-De Dominicis (MND) model numerically over the entire band. The core-hole potential and other parameters in the... (More)
Auger CVV spectra of simple metals are generally believed to be well described by one-electron-like theories in the bulk which account for matrix elements and, in some cases, also static core-hole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using self-consistent bulk wave functions and proper matrix elements. The resulting spectra differ markedly from experiment and peak at too low energies. To explain this discrepancy we investigate effects of the surface and dynamical effects of the sudden disappearance of the core hole in the final state. To study core-hole effects we solve Mahan-Nozières-De Dominicis (MND) model numerically over the entire band. The core-hole potential and other parameters in the MND model are determined by self-consistent calculations of the core-hole impurity. The results are compared with simpler approximations based on the final-state rule due to von Barth and Grossmann. To study surface and mean-free-path effects we perform slab calculations for Al but use a simpler infinite-barrier model in the remaining cases. The model reproduces the slab spectra for Al with very good accuracy. In all cases investigated either the effects of the surface or the effects of the core hole give important modifications and a much improved agreement with experiment. (Less)
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author
organization
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type
Contribution to journal
publication status
published
subject
in
Physical Review B
volume
39
issue
6
pages
3503 - 3516
publisher
American Physical Society
external identifiers
  • Scopus:0001436344
ISSN
1550-235X
language
English
LU publication?
yes
id
50655402-e709-496a-92b8-d5d7a1a383c6 (old id 8774106)
date added to LUP
2016-02-27 01:01:51
date last changed
2016-10-13 05:01:39
@misc{50655402-e709-496a-92b8-d5d7a1a383c6,
  abstract     = {Auger CVV spectra of simple metals are generally believed to be well described by one-electron-like theories in the bulk which account for matrix elements and, in some cases, also static core-hole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using self-consistent bulk wave functions and proper matrix elements. The resulting spectra differ markedly from experiment and peak at too low energies. To explain this discrepancy we investigate effects of the surface and dynamical effects of the sudden disappearance of the core hole in the final state. To study core-hole effects we solve Mahan-Nozières-De Dominicis (MND) model numerically over the entire band. The core-hole potential and other parameters in the MND model are determined by self-consistent calculations of the core-hole impurity. The results are compared with simpler approximations based on the final-state rule due to von Barth and Grossmann. To study surface and mean-free-path effects we perform slab calculations for Al but use a simpler infinite-barrier model in the remaining cases. The model reproduces the slab spectra for Al with very good accuracy. In all cases investigated either the effects of the surface or the effects of the core hole give important modifications and a much improved agreement with experiment.},
  author       = {Almbladh, Carl-Olof and Morales, Alvaro Luis},
  issn         = {1550-235X},
  language     = {eng},
  number       = {6},
  pages        = {3503--3516},
  publisher    = {ARRAY(0x80c16b0)},
  series       = {Physical Review B},
  title        = {Theory of Auger core-valence-valence processes in simple metals. II. Dynamical and surface effects on Auger line shapes},
  volume       = {39},
  year         = {1989},
}