Time-resolved spectroscopy at surfaces and adsorbate dynamics : Insights from a model-system approach
(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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- author
- Boström, Emil LU ; Mikkelsen, Anders LU and Verdozzi, Claudio LU
- organization
- publishing date
- 2016-05-11
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 93
- issue
- 19
- article number
- 195416
- publisher
- American Physical Society
- external identifiers
-
- wos:000375994400006
- scopus:84969180602
- 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
- 2024-01-04 13:22:15
@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>}},
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}},
doi = {{10.1103/PhysRevB.93.195416}},
volume = {{93}},
year = {{2016}},
}