Phonon effects on deep-level excitations in metals: Beyond the linear-screening and linear-coupling models
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/8773836
- author
- Almbladh, Carl-Olof LU and Morales, Alvaro Luis
- organization
- publishing date
- 1985
- 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
- 2016-04-04 13:16:34
- date last changed
- 2021-01-03 10:12:39
@article{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 = {{Institute of Physics and the Physical Society}}, 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}}, }