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Time-resolved spectroscopy at surfaces and adsorbate dynamics : Insights from a model-system approach

Boström, Emil LU ; Mikkelsen, Anders LU and Verdozzi, Claudio LU (2016) In Physical Review B (Condensed Matter and Materials Physics) 93(19).
Abstract

We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages of dissociation, we consider a finite-size implementation of the model (i.e., a finite substrate), for which an exact numerical solution is possible. By time-evolving the many-body wave function, and also using results from a time-dependent density functional theory description for electron-nuclear systems, we analyze the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model... (More)

We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages of dissociation, we consider a finite-size implementation of the model (i.e., a finite substrate), for which an exact numerical solution is possible. By time-evolving the many-body wave function, and also using results from a time-dependent density functional theory description for electron-nuclear systems, we analyze the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols can impact desorption in a variety of prototypical experiments.

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Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
93
issue
19
publisher
American Physical Society
external identifiers
  • Scopus:84969180602
  • WOS:000375994400006
ISSN
1098-0121
DOI
10.1103/PhysRevB.93.195416
language
English
LU publication?
yes
id
10443b6b-8ffc-4bdd-97b1-628134ffa660
date added to LUP
2016-09-28 09:25:08
date last changed
2017-01-01 08:35:21
@article{10443b6b-8ffc-4bdd-97b1-628134ffa660,
  abstract     = {<p>We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages of dissociation, we consider a finite-size implementation of the model (i.e., a finite substrate), for which an exact numerical solution is possible. By time-evolving the many-body wave function, and also using results from a time-dependent density functional theory description for electron-nuclear systems, we analyze the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols can impact desorption in a variety of prototypical experiments.</p>},
  articleno    = {195416},
  author       = {Boström, Emil and Mikkelsen, Anders and Verdozzi, Claudio},
  issn         = {1098-0121},
  language     = {eng},
  month        = {05},
  number       = {19},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Time-resolved spectroscopy at surfaces and adsorbate dynamics : Insights from a model-system approach},
  url          = {http://dx.doi.org/10.1103/PhysRevB.93.195416},
  volume       = {93},
  year         = {2016},
}