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Project List » Nanophysics of deposited semi-spheroidal atomic clusters

Nanophysics of deposited semi-spheroidal atomic clusters
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Acronym: NANCASS
Contracting Authority: Executive Agency for Higher Education, Research, Development and Innovation Funding (UEFISCDI)
Number / Date of the contract: 161 / 01.10.2007
Idei
Project Manager: Dorin Poenaru
Partners:
Starting date / finishing date: 2007-10-01 / 2010-09-30
Project value: 1000000 RON
Abstract: The main idea of the project is to advance significantly the understanding of mechanisms of growth of atomic clusters deposited on planar surfaces, potentially applicable in nanotechnology, microelectronics or medicine. In order to explore in a systematic way different configurations which can be met in practice we need a theoretical method able to give numerical results in a reasonably short computer running time. The nuclear shell correction method we have used to study the stability of heavy and superheavy nuclei, will be adapted to atomic clusters deposited on a surface. The simplest shape to be considered first is the semi-spheroid, for which we shall calculate the deformation-dependent surface and curvature liquid drop model (LDM) energies. A new single-particle shell model of a three-dimensional harmonic oscillator with equipotential surfaces of the same shape will be developed by solving the Schroedinger equation. The energy levels of this model will be used as input data for shell and pairing corrections. The potential energy surfaces versus the deformation and the number of atoms in the cluster will show minima at which the best stability will be obtained. They will be the result of the largest degeneracy of magic numbers combined with the LDM minima. We shall derive analytical relationships for the surface and curvature energies of oblate and prolate semi-spheroidal atomic clusters and for the energy levels of the shell model as well. In the next steps we shall try to simulate better the experiments by considering more complex shapes, a term proportional to the square of angular momentum in the Hamiltonian, a variable surface tension, etc. The significant results we shall obtain in such a way will be eventually checked within ab initio calculations based on density functional theory, involving heavy computational effort.

Objectives:

THE STAGES OF THE PROJECT AND DELIVERY DATES
1. Binding energy of a spherical and semi-spherical metallic cluster within liquid drop model. (2007-12-15) Results
2. Deformation energy of spheroidal, semi-spheroidal and intermediate shape atomic clusters. Analytical relationships within liquid drop model.  (2008-10-31) Results
3. Single-particle models of spheroidal and semi-spheroidal harmonic oscillator. Influence of the orbital momentum.  (2009-09-15) Results
4. Total deformation energy of a semi-spheroidal metallic cluster within macroscopic-microscopic approach. Shell and pairing corrections.  (2010-09-15)
RESULTS
PUBLISHED ARTICLES
RESEARCH TEAM


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