2014/10/31 by M. Pamperin, Mathias Pamperin, F. X. Bronold +2 · 22 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic physics #Chemistry #Condensed matter physics #Ion #Linear response theory #Nuclear physics #Physics #Projectile #Quantum and electron transport phenomena #Quantum mechanics #Spectral line #Spectroscopy and Quantum Chemical Studies #Strontium #Valence (chemistry) #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.91.035440
published in Physical Review B 91(3) (American Physical Society) · revised accepted version of the original submission
openalex publication_date 2015/01/29 · arxiv created 2015/01/30 · arxiv updated 2015/02/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Motivated by experimental evidence for mixed-valence correlations affecting the neutralization of strontium ions on gold surfaces, we set up an Anderson-Newns model for the Sr:Au system and calculate the neutralization probability \ensuremathα as a function of temperature. We employ quantum-kinetic equations for the projectile Green functions in the finite\text\ensuremath-U noncrossing approximation. Our results for \ensuremathα agree reasonably well with the experimental data as far as the overall order of magnitude is concerned, showing in particular the correlation-induced enhancement of \ensuremathα. The experimentally found nonmonotonous temperature dependence, however, could not be reproduced. Instead of an initially increasing and then decreasing \ensuremathα, we find over the whole temperature range only a weak negative temperature dependence. It arises, however, clearly from a mixed-valence resonance in the projectile's spectral density and thus supports qualitatively the interpretation of the experimental data in terms of a mixed-valence scenario.