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Phonon effects on deep-level excitations in metals: Beyond the linear-screening and linear-coupling models

Almbladh, Carl-Olof LU and Morales, Alvaro Luis (1985) In Journal of Physics F: Metal Physics 15(4). p.991-1012
Abstract
New theoretical developments in impurity lattice dynamics are presented, with the emphasis on phonon broadening of core levels in metals. Detailed calculations have been made for Li and Na. The effects of non-linear screening are evaluated for the first time and are shown to increase the phonon broadening by about 70% for Li compared with the linear-screening value. The present a priori estimate of the phonon broadening of the Li 1s level is the first which agrees with experiment. The effects of core-hole-lattice couplings of second order in ion displacements are also evaluated and shown to be unimportant for Li and Na. The usual linear-screening theory for lattice dynamics and for impurity-lattice couplings is analysed critically with... (More)
New theoretical developments in impurity lattice dynamics are presented, with the emphasis on phonon broadening of core levels in metals. Detailed calculations have been made for Li and Na. The effects of non-linear screening are evaluated for the first time and are shown to increase the phonon broadening by about 70% for Li compared with the linear-screening value. The present a priori estimate of the phonon broadening of the Li 1s level is the first which agrees with experiment. The effects of core-hole-lattice couplings of second order in ion displacements are also evaluated and shown to be unimportant for Li and Na. The usual linear-screening theory for lattice dynamics and for impurity-lattice couplings is analysed critically with regard to its sensitivity to the approximations for the pseudopotential and for the screening function. Both optimised model potentials and norm-conserving a priori potentials are considered. Finally, an indirect phonon broadening mechanism proposed previously is analysed and shown to give a negligible effect. (Less)
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organization
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type
Contribution to journal
publication status
published
subject
in
Journal of Physics F: Metal Physics
volume
15
issue
4
pages
991 - 1012
publisher
Institute of Physics and the Physical Society
external identifiers
  • Scopus:5044228239
ISSN
0305-4608
language
English
LU publication?
yes
id
d2b4723b-5a04-4a29-960c-f23c427c8cf9 (old id 8773836)
date added to LUP
2016-02-27 01:06:44
date last changed
2016-10-13 04:53:52
@misc{d2b4723b-5a04-4a29-960c-f23c427c8cf9,
  abstract     = {New theoretical developments in impurity lattice dynamics are presented, with the emphasis on phonon broadening of core levels in metals. Detailed calculations have been made for Li and Na. The effects of non-linear screening are evaluated for the first time and are shown to increase the phonon broadening by about 70% for Li compared with the linear-screening value. The present a priori estimate of the phonon broadening of the Li 1s level is the first which agrees with experiment. The effects of core-hole-lattice couplings of second order in ion displacements are also evaluated and shown to be unimportant for Li and Na. The usual linear-screening theory for lattice dynamics and for impurity-lattice couplings is analysed critically with regard to its sensitivity to the approximations for the pseudopotential and for the screening function. Both optimised model potentials and norm-conserving a priori potentials are considered. Finally, an indirect phonon broadening mechanism proposed previously is analysed and shown to give a negligible effect.},
  author       = {Almbladh, Carl-Olof and Morales, Alvaro Luis},
  issn         = {0305-4608},
  language     = {eng},
  number       = {4},
  pages        = {991--1012},
  publisher    = {ARRAY(0xa22c348)},
  series       = {Journal of Physics F: Metal Physics},
  title        = {Phonon effects on deep-level excitations in metals: Beyond the linear-screening and linear-coupling models},
  volume       = {15},
  year         = {1985},
}