Classical Analysis of Phenomenological Potentials for Metallic Clusters

The classical trajectories of single particle motion in a Wodds-Saxon and a modified Nilsson potential are studied for axial quadrupole deformation. Both cases give rise to chaotic behaviour when the deformation in the Woods-Saxon and the l**2 term in the modified Nilsson potential are turned on. Important similarities, in particular with regard to the shortest periodic orbits, have been found.Comment: 9 pages LaTex + 4 figures available via e-mail requests from the authors, to appear in Phys.Rev.Let

Orbital Magnetic Dipole Mode in Deformed Clusters: A Fully Microscopic Analysis

The orbital M1 collective mode predicted for deformed clusters in a schematic model is studied in a self-consistent random-phase-approximation approach which fully exploits the shell structure of the clusters. The microscopic mechanism of the excitation is clarified and the close correlation with E2 mode established. The study shows that the M1 strength of the mode is fragmented over a large energy interval. In spite of that, the fraction remaining at low energy, well below the overwhelming dipole plasmon resonance, is comparable to the strength predicted in the schematic model. The importance of this result in view of future experiments is stressed.Comment: 10 pages, 3 Postscript figures, uses revte

Semiclassical analysis of the lowest-order multipole deformations of simple metal clusters

We use a perturbative semiclassical trace formula to calculate the three lowest-order multipole (quadrupole \eps_2, octupole \eps_3, and hexadecapole \eps_4) deformations of simple metal clusters with $90 \le N \le 550$ atoms in their ground states. The self-consistent mean field of the valence electrons is modeled by an axially deformed cavity and the oscillating part of the total energy is calculated semiclassically using the shortest periodic orbits. The average energy is obtained from a liquid-drop model adjusted to the empirical bulk and surface properties of the sodium metal. We obtain good qualitative agreement with the results of quantum-mechanical calculations using Strutinsky's shell-correction method.Comment: LaTeX file (v2) 6 figures, to be published in Phys. Lett.

Semi-spheroidal Quantum Harmonic Oscillator

A new single-particle shell model is derived by solving the Schr\"odinger equation for a semi-spheroidal potential well. Only the negative parity states of the $Z(z)$ component of the wave function are allowed, so that new magic numbers are obtained for oblate semi-spheroids, semi-sphere and prolate semi-spheroids. The semi-spherical magic numbers are identical with those obtained at the oblate spheroidal superdeformed shape: 2, 6, 14, 26, 44, 68, 100, 140, ... The superdeformed prolate magic numbers of the semi-spheroidal shape are identical with those obtained at the spherical shape of the spheroidal harmonic oscillator: 2, 8, 20, 40, 70, 112, 168 ...Comment: 4 pages, 3 figures, 1 tabl

Electronic-structure-induced deformations of liquid metal clusters

Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na$_8$ remains magic also at the liquid state.Comment: REVTex, 11 pages, no figures, figures (2) available upon request (e-mail to hakkinen at jyfl.jyu.fi), submitted to Phys. Rev.

Semiclassical theory of surface plasmons in spheroidal clusters

A microscopic theory of linear response based on the Vlasov equation is extended to systems having spheroidal equilibrium shape. The solution of the linearized Vlasov equation, which gives a semiclassical version of the random phase approximation, is studied for electrons moving in a deformed equilibrium mean field. The deformed field has been approximated by a cavity of spheroidal shape, both prolate and oblate. Contrary to spherical systems, there is now a coupling among excitations of different multipolarity induced by the interaction among constituents. Explicit calculations are performed for the dipole response of deformed clusters of different size. In all cases studied here the photoabsorption strength for prolate clusters always displays a typical double-peaked structure. For oblate clusters we find that the high--frequency component of the plasmon doublet can get fragmented in the medium size region ($N \sim 250$). This fragmentation is related to the presence of two kinds of three-dimensional electron orbits in oblate cavities. The possible scaling of our semiclassical equations with the valence electron number and density is investigated.Comment: 23 pages, 8 figures, revised version, includes discussion of scalin

The 3-Dimensional q-Deformed Harmonic Oscillator and Magic Numbers of Alkali Metal Clusters

Magic numbers predicted by a 3-dimensional q-deformed harmonic oscillator with Uq(3) > SOq(3) symmetry are compared to experimental data for alkali metal clusters, as well as to theoretical predictions of jellium models, Woods--Saxon and wine bottle potentials, and to the classification scheme using the 3n+l pseudo quantum number. The 3-dimensional q-deformed harmonic oscillator correctly predicts all experimentally observed magic numbers up to 1500 (which is the expected limit of validity for theories based on the filling of electronic shells), thus indicating that Uq(3), which is a nonlinear extension of the U(3) symmetry of the spherical (3-dimensional isotropic) harmonic oscillator, is a good candidate for being the symmetry of systems of alkali metal clusters.Comment: 13 pages, LaTe

Periodic orbit theory for realistic cluster potentials: The leptodermous expansion

The formation of supershells observed in large metal clusters can be qualitatively understood from a periodic-orbit-expansion for a spherical cavity. To describe the changes in the supershell structure for different materials, one has, however, to go beyond that simple model. We show how periodic-orbit-expansions for realistic cluster potentials can be derived by expanding only the classical radial action around the limiting case of a spherical potential well. We give analytical results for the leptodermous expansion of Woods-Saxon potentials and show that it describes the shift of the supershells as the surface of a cluster potential gets softer. As a byproduct of our work, we find that the electronic shell and supershell structure is not affected by a lattice contraction, which might be present in small clusters.Comment: 15 pages RevTex, 11 eps figures, additional information at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/users/koch/Diss

Deformed Harmonic Oscillators for Metal Clusters: Analytic Properties and Supershells

The analytic properties of Nilsson's Modified Oscillator (MO), which was first introduced in nuclear structure, and of the recently introduced, based on quantum algebraic techniques, 3-dimensional q-deformed harmonic oscillator (3-dim q-HO) with Uq(3) > SOq(3) symmetry, which is known to reproduce correctly in terms of only one parameter the magic numbers of alkali clusters up to 1500 (the expected limit of validity for theories based on the filling of electronic shells), are considered. Exact expressions for the total energy of closed shells are determined and compared among them. Furthermore, the systematics of the appearance of supershells in the spectra of the two oscillators is considered, showing that the 3-dim q-HO correctly predicts the first supershell closure in alkali clusters without use of any extra parameter.Comment: 25 pages LaTeX plus 21 postscript figure