Search results for "Jellium"
showing 10 items of 28 documents
Deformations of quasi-two-dimensional electron gas clusters
1998
Shell effects and Jahn-Teller deformations of quasi-two-dimensional jellium droplets are studied. Utilizing the ultimate jellium assumption, previously successfully used for three-dimensional systems, we calculate unrestricted shape relaxations and binding energies of the ground-state and the lowest isomers, using the methods of density-functional theory in the local spin-density approximation. Strong variations with particle number are found in the shape of the droplets. In particular, for certain magic electron numbers the shapes show triangular or circular symmetry, while for other electron numbers, more complicated symmetries are found. We finally show that from a more simple ``billiard…
Jahn-Teller deformations of jellium slices
1997
Equilibrium geometries of quasi two-dimensional jellium systems are calculated in the local density approximation, closely following the “Ultimate Jellium Model” of [1]. The background charge is assumed to be fully deformable in a layer between two parallel planes, whereas the wave functions in the direction perpendicular to such a “jellium slice” are confined to their ground state. Like for jellium clusters in three dimensions [1], we find that for various system sizes, a trend towards a breaking of axial and inversion symmetries is observable.
COLLECTIVE SPIN EXCITATIONS OF ALKALI-METAL CLUSTERS
1993
The response function of alkali-metal clusters, modeled as jellium spheres, to dipole (L=1) and quadrupole (L=2) spin-dependent fields is obtained within the time-dependent local-spin-density approximation of density-functional theory. We predict the existence of low-energy spin modes of surface type, which are identified from the strength function. Their collectivity and evolution with size are discussed.
Metal Clusters, Quantum Dots, and Trapped Atoms
2010
In this chapter, we discuss the electronic structure of finite quantal systems on the nanoscale. After a few general remarks on the many-particle physics of the harmonic oscillator, likely being the most studied example for the many-body systems of finite quantal systems, we turn to the electronic structure of metal clusters. We discuss Jahn–Teller deformations for the so-called “ultimate” jellium model which assumes a complete cancelation of the electronic charge with the ionic background. Within this model, we are also able to understand the stable electronic shell structure of tetrahedral (three-dimensional) or triangular (two-dimensional [2D]) cluster geometries, resembling closed shell…
Dipole surface plasmon in large K N + clusters
1993
The dipole surface plasmon forK N + clusters is analyzed using the RPA sum-rule technique within a semiclassical Density Functional Theory and the spherical jellium model. The theoretical frequencies are blue shifted as compared to the experimental ones. The discrepancies between theory and experiment are reduced when considering non-local energy contributions in the density functional and phenomenologically including atomic lattice effects by means of an electron effective mass and a static dielectric constant.
Two-component density-functional theory: Application to positron states.
1985
A quantitative approach to calculating properties of inhomogeneous two-component Coulomb-Fermi systems is presented. As an application, the ground-state electronic structure of a jellium vacancy containing a trapped positron is calculated self-consistently. While the resulting density profiles and energetics are quite different from those obtained neglecting cross correlations, the conventional estimates for the annihilation rates are shown to remain valid, due to canceling effects of the increase in the mean electron density and the decrease in short-range screening.
Configuration-interaction calculations of jellium clusters by the nuclear shell model
1994
Configuration-interaction (CI) calculations are performed on Na clusters of up to 20 atoms within the spherical jellium model, with particular attention paid to the magic clusters with N=2, 8, and 20. The interacting valence electrons are assumed to move in the Coulomb field of the jellium core. The numerical work is carried out by the nuclear-structure code oxbash modified to handle LS coupling. The many-particle bases are constructed of harmonic-oscillator single-particle states extending over 11 major shells and, alternatively, of single-particle states generated by the local-spin-density approximation (LSDA). The calculated quantities include ground- and excited state energies, ionizati…
Unrestricted Shapes of Jellium Clusters
1995
A jellium model with a completely relaxable background charge density is used to study metal clusters containing 2 to 22 electrons. The resulting shapes of the clusters exhibit breaking of axial and inversion symmetries, as well as molecular formation. The clusters without inversion symmetry are soft against deformation. The strongly deformed 14-electron cluster is found to be semi-magic. Stable-shape isomers are predicted.
Star orbits in metal clusters
1993
A possibility that classical five-point star orbits play a dominant role for shell structures of large metal clusters is investigated quantum mechanically. With a soft Woods-Saxon spherical potential a signature of the five-point star orbit is found in the level densities. Quantum numbers of degenerate levels in the soft Woods-Saxon potential differ by 2 and 5 in radial nodes and angular momenta, respectively. Unlike the experimental observation the peaks in the mass spectrum are not equally spaced as a function of N 1/3 . The self-consistent jellium model does not reproduce the degeneracy associated with the five-point star orbits. It is demonstrated that by covering high-density metal clu…
Many-body origin of the plasmon resonance in small metal clusters
1994
The origin of the plasmon excitation in small metal clusters is studied within the jellium model through ab initio electronic-structure calculations based on the nuclear shell model. In the limit of infinite size, the plasmon classically represents pure harmonic motion of the center of mass of the valence electrons. It is shown that this limit is already well approximated by clusters of only eight electrons.