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The far from equilibrium structure of argon clusters doped with krypton or xenon
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
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2006 In: Physical Chemistry Chemical Physics, ISSN 1463-9076, Vol. 8, 1899–1905- p.Article in journal (Refereed) Published
Place, publisher, year, edition, pages
2006. Vol. 8, 1899–1905- p.
Identifiers
URN: urn:nbn:se:uu:diva-96542OAI: oai:DiVA.org:uu-96542DiVA: diva2:171148
Available from: 2007-11-28 Created: 2007-11-28Bibliographically approved
In thesis
1. Photoelectron Spectroscopy on Atoms, Molecules and Clusters: The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers
Open this publication in new window or tab >>Photoelectron Spectroscopy on Atoms, Molecules and Clusters: The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers
2007 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects.

In this thesis, some atomic, molecular and cluster systems (clusters of O2, CH3Br, Ar/O2, Ar/Xe and Ar/Kr; dimers of Na; Na and K atoms) have been investigated using synchrotron radiation, and in the two last instances, laser light. We have performed x-ray photoelectron spectroscopy (XPS) on all of these systems. We have also applied ultraviolet photoelectron spectroscopy (UPS), resonant Auger spectroscopy (RAS) and near-edge x-ray absorption spectroscopy (NEXAFS) to study many of the systems. Calculations using ab initio methods, namely density functional theory (DFT) and Møller-Plesset perturbation theory (MP), were employed for electronic structure calculations. The geometrical structure was studied using a combination of ab initio and molecular dynamics (MD) methods.

Results on the dissociation behavior of CH3Br and O2 molecules in clusters are presented. The dissociation of the Na2 molecule has been characterized and the molecular field splitting of the Na 2p level in the dimer has been measured. The molecular field splitting of the CH3Br 3d level has been measured and the structure of CH3Br clusters has been determined to be similar to the structure of the bulk solid. The diffusion behavior of O2, Kr and Xe on large Ar clusters, as a function of doping rate, has been investigated. The shake-down process has been observed from excited states of Na and K. Laser excited Na atoms have been shown to be magnetically aligned. The shake-down process was used to characterize the origin of various final states that can be observed in the spectrum of ground-state K.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2007. 81 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 375
Keyword
Atomic and molecular physics, Free clusters, Electron spectroscopy, Doped clusters, Laser excitation, Alkali metals, Electronic structure, Geometric structure, X-ray photoelectron spectroscopy (XPS), Resonant Auger spectroscopy (RAS), Near-threshold x-ray absorption fine structure (NEXAFS), Ultraviolet photoelectron spectroscopy (UPS), Detuning, Ultra-fast dissociation (UFD), Sodium, Potassium, Oxygen, Bromomethane, Argon, Xenon, Krypton, Molecular field splitting, Core hole lifetime, Core excitation, Atom- och molekylfysik
Identifiers
urn:nbn:se:uu:diva-8343 (URN)978-91-554-7047-0 (ISBN)
Public defence
2007-12-19
Opponent
Supervisors
Available from: 2007-11-28 Created: 2007-11-28Bibliographically approved

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