Theory of Auger corevalencevalence processes in simple metals. II. Dynamical and surface effects on Auger line shapes
(1989) In Physical Review B 39(6). p.35033516 Abstract
 Auger CVV spectra of simple metals are generally believed to be well described by oneelectronlike theories in the bulk which account for matrix elements and, in some cases, also static corehole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using selfconsistent 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 corehole effects we solve MahanNozièresDe Dominicis (MND) model numerically over the entire band. The corehole potential and other parameters in the... (More)
 Auger CVV spectra of simple metals are generally believed to be well described by oneelectronlike theories in the bulk which account for matrix elements and, in some cases, also static corehole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using selfconsistent 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 corehole effects we solve MahanNozièresDe Dominicis (MND) model numerically over the entire band. The corehole potential and other parameters in the MND model are determined by selfconsistent calculations of the corehole impurity. The results are compared with simpler approximations based on the finalstate rule due to von Barth and Grossmann. To study surface and meanfreepath effects we perform slab calculations for Al but use a simpler infinitebarrier 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)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/8774106
 author
 Almbladh, CarlOlof ^{LU} and Morales, Alvaro Luis
 organization
 publishing date
 1989
 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
 1550235X
 language
 English
 LU publication?
 yes
 id
 50655402e709496a92b8d5d7a1a383c6 (old id 8774106)
 date added to LUP
 20160227 01:01:51
 date last changed
 20161013 05:01:39
@misc{50655402e709496a92b8d5d7a1a383c6, abstract = {Auger CVV spectra of simple metals are generally believed to be well described by oneelectronlike theories in the bulk which account for matrix elements and, in some cases, also static corehole screening effects. We present here detailed calculations on Li, Be, Na, Mg, and Al using selfconsistent 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 corehole effects we solve MahanNozièresDe Dominicis (MND) model numerically over the entire band. The corehole potential and other parameters in the MND model are determined by selfconsistent calculations of the corehole impurity. The results are compared with simpler approximations based on the finalstate rule due to von Barth and Grossmann. To study surface and meanfreepath effects we perform slab calculations for Al but use a simpler infinitebarrier 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, CarlOlof and Morales, Alvaro Luis}, issn = {1550235X}, language = {eng}, number = {6}, pages = {35033516}, publisher = {ARRAY(0x85b05a8)}, series = {Physical Review B}, title = {Theory of Auger corevalencevalence processes in simple metals. II. Dynamical and surface effects on Auger line shapes}, volume = {39}, year = {1989}, }