Laser control over the ultrafast Coulomb explosion of after Auger decay: A quantum-dynamics investigation
Abstract
By theoretical calculation, we show the possibility to control and partially suppress the Coulomb explosion of molecules after core-level photoionization by an x-ray laser and subsequent Auger decay. This is achieved by means of a femtosecond infrared laser pulse interacting with the dication produced by the x-ray pulse. Suppression of molecular fragmentation requires few-femtosecond IR pulses interacting with the system either during or shortly after the arrival of the x-ray pulse. The IR pulse suppresses fragmentation mostly by optically coupling the electronic routes to ultrafast molecular dissociation with electronic channels able to support long-lived vibrational resonances. The effect is strongly dependent on the orientation of the molecule with respect to the polarization axis of the IR field. These calculations are motivated by x-ray pump–IR probe experiments performed at an x-ray free-electron laser [J. M. Glownia et al., Opt. Express 18, 17620 (2010)], where only enhancement of fragmentation as a function of the pump-probe delay time was reported. The opposite effect reported here becomes apparent when the various electronic channels are considered separately. In practice, this corresponds to a coincident measurement of the energy of the ejected Auger electron
- Authors:
-
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Hamburg Centre for Ultrafast Imaging (Germany); Aarhus Univ. (Denmark)
- Univ. of Wisconsin, Milwaukee, WI (United States)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany); Hamburg Centre for Ultrafast Imaging (Germany)
- Publication Date:
- Research Org.:
- Univ. of Wisconsin, Milwaukee, WI (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1598189
- Alternate Identifier(s):
- OSTI ID: 1352965
- Grant/Contract Number:
- SC0002164
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Physical Review A
- Additional Journal Information:
- Journal Volume: 95; Journal Issue: 4; Journal ID: ISSN 2469-9926
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
Hanna, Athiya Mahmud, Vendrell, Oriol, Ourmazd, Abbas, and Santra, Robin. Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation. United States: N. p., 2017.
Web. doi:10.1103/PhysRevA.95.043419.
Hanna, Athiya Mahmud, Vendrell, Oriol, Ourmazd, Abbas, & Santra, Robin. Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation. United States. https://doi.org/10.1103/PhysRevA.95.043419
Hanna, Athiya Mahmud, Vendrell, Oriol, Ourmazd, Abbas, and Santra, Robin. 2017.
"Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation". United States. https://doi.org/10.1103/PhysRevA.95.043419. https://www.osti.gov/servlets/purl/1598189.
@article{osti_1598189,
title = {Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation},
author = {Hanna, Athiya Mahmud and Vendrell, Oriol and Ourmazd, Abbas and Santra, Robin},
abstractNote = {By theoretical calculation, we show the possibility to control and partially suppress the Coulomb explosion of N2 molecules after core-level photoionization by an x-ray laser and subsequent Auger decay. This is achieved by means of a femtosecond infrared laser pulse interacting with the N22+ dication produced by the x-ray pulse. Suppression of molecular fragmentation requires few-femtosecond IR pulses interacting with the system either during or shortly after the arrival of the x-ray pulse. The IR pulse suppresses fragmentation mostly by optically coupling the electronic routes to ultrafast molecular dissociation with electronic channels able to support long-lived vibrational resonances. The effect is strongly dependent on the orientation of the molecule with respect to the polarization axis of the IR field. These calculations are motivated by x-ray pump–IR probe experiments performed at an x-ray free-electron laser [J. M. Glownia et al., Opt. Express 18, 17620 (2010)], where only enhancement of N22+ fragmentation as a function of the pump-probe delay time was reported. The opposite effect reported here becomes apparent when the various electronic channels are considered separately. In practice, this corresponds to a coincident measurement of the energy of the ejected Auger electron},
doi = {10.1103/PhysRevA.95.043419},
url = {https://www.osti.gov/biblio/1598189},
journal = {Physical Review A},
issn = {2469-9926},
number = 4,
volume = 95,
place = {United States},
year = {Mon Apr 24 00:00:00 EDT 2017},
month = {Mon Apr 24 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
The N 1s core electron shake-up and the shake-up Auger satellite spectrum of the N 2 molecule
journal, January 1992
- Svensson, S.; Brito, A. Naves de; Keane, M. P.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 25, Issue 1
A high-resolution N 1s photoionization study of the molecule in the near-threshold region
journal, November 1996
- Kempgens, B.; Kivimäki, A.; Neeb, M.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 29, Issue 22
Time-resolved pump-probe experiments at the LCLS
journal, January 2010
- Glownia, James M.; Cryan, J.; Andreasson, J.
- Optics Express, Vol. 18, Issue 17
Light-induced potentials ignite dissociation of
journal, April 2006
- Coffee, Ryan N.; Fang, Li; Gibson, George N.
- Physical Review A, Vol. 73, Issue 4
Ion momentum spectroscopy of N 2 and O 2 molecules irradiated by EUV free-electron laser pulses
journal, September 2009
- Fukuzawa, H.; Motomura, K.; Liu, X-J
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 42, Issue 18
Tracing nuclear-wave-packet dynamics in singly and doubly charged states of N and O with XUV-pump–XUV-probe experiments
journal, July 2012
- Magrakvelidze, M.; Herrwerth, O.; Jiang, Y. H.
- Physical Review A, Vol. 86, Issue 1
Theory of fluorescence and probe absorption in the presence of a driving field using semiclassical dressed states
journal, April 1996
- Berman, P. R.
- Physical Review A, Vol. 53, Issue 4
Softening of the molecular bond in intense laser fields
journal, April 1990
- Bucksbaum, P. H.; Zavriyev, A.; Muller, H. G.
- Physical Review Letters, Vol. 64, Issue 16
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989
- Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 90, Issue 2
Threshold photoelectrons coincidence spectroscopy of doubly-charged ions of nitrogen, carbon monoxide, nitric oxide and oxygen
journal, June 1994
- Dawber, G.; McConkey, A. G.; Avaldi, L.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 27, Issue 11
Time-resolved studies with FELs
journal, October 2015
- Rudenko, Artem; Rolles, Daniel
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 204
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
journal, January 2000
- Beck, M.
- Physics Reports, Vol. 324, Issue 1
Determination of the K—LL Auger Spectra of N 2 , O 2 , CO, NO, H 2 O, and CO 2
journal, September 1971
- Moddeman, W. E.; Carlson, Thomas A.; Krause, Manfred O.
- The Journal of Chemical Physics, Vol. 55, Issue 5
Theoretical investigation of the dication of molecular nitrogen
journal, October 1986
- Wetmore, R. W.; Boyd, R. K.
- The Journal of Physical Chemistry, Vol. 90, Issue 22
Multi-photon ionization of molecular nitrogen by femtosecond soft x-ray FEL pulses
journal, June 2006
- Sorokin, A. A.; Bobashev, S. V.; Tiedtke, K.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 39, Issue 14
Theoretical determination of the ground state of nitrogen molecule dication (N22+)
journal, November 1987
- Taylor, Peter R.; Partridge, Harry.
- The Journal of Physical Chemistry, Vol. 91, Issue 24
Angular distribution of N2 KVV Auger electrons induced by 1.5 and 2 MeV protons
journal, April 1997
- Víkor, Gy.; Ricz, S.; Tóth, L.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 124, Issue 2-3
The multi-configurational time-dependent Hartree approach
journal, January 1990
- Meyer, H. -D.; Manthe, U.; Cederbaum, L. S.
- Chemical Physics Letters, Vol. 165, Issue 1
2MOLCAS as a development platform for quantum chemistry software: MOLCAS: Software Development Platform
journal, January 2004
- Veryazov, Valera; Widmark, Per-Olof; Serrano-Andrés, Luis
- International Journal of Quantum Chemistry, Vol. 100, Issue 4
Experimental and theoretical studies of the radiative properties of the N 2+ 2 D 1 Σ + u state
journal, June 1988
- Olsson, B. J.; Kindvall, G.; Larsson, M.
- The Journal of Chemical Physics, Vol. 88, Issue 12
On the theory of fast photoionization processes
journal, January 1977
- Pickup, Barry T.
- Chemical Physics, Vol. 19, Issue 2
MOLCAS 7: The Next Generation
journal, January 2010
- Aquilante, Francesco; De Vico, Luca; Ferré, Nicolas
- Journal of Computational Chemistry, Vol. 31, Issue 1
Rates of exponential decay in systems of discrete energy levels by Stieltjes imaging
journal, July 2014
- Craigie, Jacob; Hammad, Ali; Cooper, Bridgette
- The Journal of Chemical Physics, Vol. 141, Issue 1
Softening of the molecular bond in intense laser fields
conference, January 1991
- Muller, H. G.; Bucksbaum, P. H.; Zavriyev, A.
- Atomic physics 12, AIP Conference Proceedings
MOLCAS: a program package for computational chemistry
journal, October 2003
- Karlström, Gunnar; Lindh, Roland; Malmqvist, Per-Åke
- Computational Materials Science, Vol. 28, Issue 2
Dissociation of doubly and triply charged N in strong laser fields
journal, October 2011
- Lai, Wei; Pei, Linsen; Guo, Chunlei
- Physical Review A, Vol. 84, Issue 4
On the interpretation of molecular valence Auger spectra
journal, August 1981
- Ågren, Hans
- The Journal of Chemical Physics, Vol. 75, Issue 3
Photofragment spectroscopy and dissociation dynamics of N 2+ 2 : A 1 Π u – X 1 Σ + g
journal, April 1994
- Martin, P. A.; Bennett, F. R.; Maier, J. P.
- The Journal of Chemical Physics, Vol. 100, Issue 7
Dynamics from noisy data with extreme timing uncertainty
journal, April 2016
- Fung, R.; Hanna, A. M.; Vendrell, O.
- Nature, Vol. 532, Issue 7600
Ultrafast X-ray Auger probing of photoexcited molecular dynamics
journal, June 2014
- McFarland, B. K.; Farrell, J. P.; Miyabe, S.
- Nature Communications, Vol. 5, Issue 1
High-brilliance free-electron-laser photoionization of : Ground-state depletion and radiation-field-induced modifications
journal, July 2007
- Föhlisch, A.; Nagasono, M.; Deppe, M.
- Physical Review A, Vol. 76, Issue 1
The influence of the σ resonance on the Auger decay of core-ionized molecular nitrogen
journal, April 2008
- Sorensen, S. L.; Miron, C.; Feifel, R.
- Chemical Physics Letters, Vol. 456, Issue 1-3
Competition between excitation and electronic decay of short-lived molecular states
journal, October 1996
- Pahl, E.; Meyer, H. -D.; Cederbaum, L. S.
- Zeitschrift f�r Physik D Atoms, Molecules and Clusters, Vol. 38, Issue 3
Theoretical study of electronic states of N22+ in an intense radiation field
journal, October 2007
- Jiang, Wanyi; Khait, Yuriy G.; Hoffmann, Mark R.
- The Journal of Chemical Physics, Vol. 127, Issue 16
Comparison of quantum and semiclassical radiation theories with application to the beam maser
journal, January 1963
- Jaynes, E. T.; Cummings, F. W.
- Proceedings of the IEEE, Vol. 51, Issue 1
Symmetry-Selective Observation of the N 1s Shape Resonance in N 2
journal, June 2001
- Hergenhahn, U.; Kugeler, O.; Rüdel, A.
- The Journal of Physical Chemistry A, Vol. 105, Issue 23
High-resolution laser photofragment spectrum of N2+2( 1 π u – 1 Σ+g)
journal, January 1990
- Masters, Tim E.; Sarre, Peter J.
- J. Chem. Soc., Faraday Trans., Vol. 86, Issue 11
Photofragment spectroscopy of
journal, August 1983
- Cosby, P. C.; Möller, R.; Helm, H.
- Physical Review A, Vol. 28, Issue 2
Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
journal, June 2003
- Meyer, Hans-Dieter; Worth, Graham A.
- Theoretical Chemistry Accounts, Vol. 109, Issue 5
Molecular frame Auger electron energy spectrum from N 2
journal, February 2012
- Cryan, J. P.; Glownia, J. M.; Andreasson, J.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 5
Potential energy curves for N2, NO, O2 and corresponding ions
journal, March 1965
- Gilmore, Forrest R.
- Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 5, Issue 2
Auger Electron Angular Distribution of Double Core-Hole States in the Molecular Reference Frame
text, January 2010
- Cryan, J. P.; Glownia, J. M.; Andreasson, J.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Works referencing / citing this record:
A pump–probe scheme with a single chirped pulse to image electron and nuclear dynamics in molecules
journal, December 2018
- Jelovina, Denis; Feist, Johannes; Martín, Fernando
- New Journal of Physics, Vol. 20, Issue 12
Time-resolved x-ray/optical pump-probe simulations on N 2 molecules
journal, March 2019
- Hanna, Athiya Mahmud; Vendrell, Oriol; Santra, Robin
- Structural Dynamics, Vol. 6, Issue 2
Infrared-laser-pulse-enhanced ultrafast fragmentation of $N_2^{2+}$ following Auger decay: Mixed quantum-classical simulations
text, January 2018
- Ganesa Subramanian, Murali Krishna; Santra, Robin; Welsch, Ralph
- Deutsches Elektronen-Synchrotron, DESY, Hamburg