<p>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.</p><p>In this thesis, some atomic, molecular and cluster systems (clusters of O<sub>2</sub>, CH<sub>3</sub>Br, Ar/O<sub>2</sub>, 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 <i>ab initio</i> 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 <i>ab initio</i> and molecular dynamics (MD) methods.</p><p>Results on the dissociation behavior of CH<sub>3</sub>Br and O<sub>2</sub> molecules in clusters are presented. The dissociation of the Na<sub>2</sub> molecule has been characterized and the molecular field splitting of the Na 2<i>p</i> level in the dimer has been measured. The molecular field splitting of the CH<sub>3</sub>Br 3<i>d</i> level has been measured and the structure of CH<sub>3</sub>Br clusters has been determined to be similar to the structure of the bulk solid. The diffusion behavior of O<sub>2</sub>, 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.</p>
| Identifer | oai:union.ndltd.org:UPSALLA/oai:DiVA.org:uu-8343 |
| Date | January 2007 |
| Creators | Rander, Torbjörn |
| Publisher | Uppsala University, Department of Physics, Uppsala : Acta Universitatis Upsaliensis |
| Source Sets | DiVA Archive at Upsalla University |
| Language | English |
| Detected Language | English |
| Type | Doctoral thesis, comprehensive summary, text |
| Relation | Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, 1651-6214 ; 375 |
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