Dresden 2009 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 24: Methods: Molecular simulations and statistical mechanics
O 24.5: Vortrag
Dienstag, 24. März 2009, 16:00–16:15, SCH A01
Liquid drop plus shell corrections model for deformed atomic cluster on the surface — •Veronika Dick1, Dorin Poenaru1,2, Radu Gherghescu1,2, Ileana Plonski1,2, Andrey Lyalin1, Andrey Solov'yov1, and Walter Greiner1 — 1Frankfurt Institute for Advanced Studies (FIAS), J.W. Goethe Universit*at, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main, Germany — 2Horia Hulubei National Institute of Physics and Nuclear Engineering (IFIN-HH), PO Box MG-6, 077125 Bucharest-Magurele, Romania
In the present work we adapt a simple liquid drop model (LDM) for description of stability and shape deformation of atomic clusters deposited on a surface. We investigate the role of cluster-surface interaction in the plastic deformation of the clusters deposited on a surface. We present the atomic cluster on the substrate like an oblate spheroidal cap. Analytical relationships for the deformation-dependent liquid drop model energies of oblate, prolate semi-spheroidal atomic clusters and oblate spheroidal cap have been obtained.
A superdeformed prolate hemispheroid is the most stable hemi-spheroidal shape within LDM. It is also the shape with maximum degeneracy of quantum states of the hemispheroidal harmonic oscillator used to compute the shell and pairing corrections. The microscopic corrections as well as total deformation energy show parabolic valley and ridges of the potential energy surfaces in the plane (deformation, number of atoms). The ground state and isomeric state deformation of clusters of various sizes depends on the interplay between the minima of LDM and shell correction energies.