Reference : Liouville master equation for multielectron dynamics: Neutralization of highly charge...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/17418
Liouville master equation for multielectron dynamics: Neutralization of highly charged ions near a LiF surface
English
Wirtz, Ludger mailto [Institute for Theoretical Physics, Vienna University of Technology/ Department of Physics and Astronomy, University of Tennessee, Knoxville]
Reinhold, C. O. [Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee / Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee]
Lemell, C. [Technische Universit├Ąt Wien = Vienna University of Technology - TU Vienna > Institute for Theoretical Physics]
Burgdorfer, J. [Institute for Theoretical Physics, Vienna University of Technology, Vienna, Austria / Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee / Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee]
2003
Physical Review. A
American Physical Society
67
1
Yes
International
1050-2947
1094-1622
College Park
MD
[en] We present a simulation of the neutralization of highly charged ions in front of a lithium fluoride surface including the close-collision regime above the surface. The present approach employs a Monte Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from classical trajectory Monte Carlo calculations as well as quantum-mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface ("trampoline effect"). For Ne10+ we find that image acceleration is dominant and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutral or even as singly charged negative particles, irrespective of the charge state of the incoming ions.
http://hdl.handle.net/10993/17418
10.1103/PhysRevA.67.012903

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