Chemical shifts of small heterogeneous Ar/Xe clusters

Journal Article · Tue Mar 15 00:00:00 EDT 2011 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.83.125414· OSTI ID:21538199

Lindblad, A; Rander, T; Bradeanu, I; Oehrwall, G; Bjoerneholm, O ^[1]; Mucke, M; Ulrich, V; Lischke, T; Hergenhahn, U ^[2]

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1. Dept. of Physics and Materials Science, Uppsala University, Box 530, SE-751 21 Uppsala (Sweden)
2. Max-Planck-Institut fuer Plasmaphysik, EURATOM Association, Boltzmannstr. 2, D-85748 Garching (Germany)

Heterogeneous rare-gas clusters produced by a coexpansion of an argon/xenon mixture have been studied using synchrotron-radiation-based photoelectron spectroscopy. Both valence and Xe 4d{sub 5/2} core-level photoelectron spectra were recorded for three different concentrations of the primary argon/xenon mixture and, for those mixtures, spectra were recorded at several different stagnation conditions. The studied size regime of the mixed clusters ranges from large, similar to those studied in an earlier paper [Phys. Rev. A 69, 031210(R) (2004)], to very small--as reflected in the cluster line shapes and chemical shifts. The chemical shifts obtained from a curve fitting procedure similar to that used in our earlier paper are discussed in terms of the mixed cluster structure which can be expected from equilibrium considerations and the Lennard-Jones parameters of the constituent atoms. Molecular dynamics simulations of the vertical polarization shifts allow more specific assignments of ''on-top'' sites and interfacial sites.

• OSTI ID: 21538199
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 83, Issue 12; Other Information: DOI: 10.1103/PhysRevB.83.125414; (c) 2011 American Institute of Physics; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOCATIONS
ARGON
ATOMIC CLUSTERS
ATOMS
CHEMICAL SHIFT
EQUILIBRIUM
MIXTURES
MOLECULAR DYNAMICS METHOD
PHOTOELECTRON SPECTROSCOPY
POLARIZATION
SIMULATION
SPECTRA
STAGNATION
SYNCHROTRON RADIATION
XENON
BREMSSTRAHLUNG
CALCULATION METHODS
DISPERSIONS
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ELEMENTS
FLUIDS
GASES
NONMETALS
RADIATIONS
RARE GASES
SPECTROSCOPY