Energy Characteristics of Small Metal Clusters Containing Vacancies

Self-consistent calculations of spatial distributions of electrons, potentials, and energies of dissociation, cohesion, vacancy formation, and electron attachment, as well as the ionization potential of solid Al N , Na N clusters ( N ≥ 254), and clusters containing a vacancy ( N ≥ 12) have been perf...

Full description

Saved in:
Bibliographic Details
Published in:Technical physics 2018-02, Vol.63 (2), p.175-185
Main Authors: Reva, V. I., Pogosov, V. V.
Format: Article
Language:English
Subjects:
Analysis
Asymptotic properties
ASYMPTOTIC SOLUTIONS
Classical and Continuum Physics
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Cybernetics
DISSOCIATION ENERGY
ELECTRON ATTACHMENT
ELECTRONS
Ionization
IONIZATION POTENTIAL
Ionization potentials
Jellium
Metal clusters
METALS
Physics
Physics and Astronomy
SOLID CLUSTERS
Solid State
SPATIAL DISTRIBUTION
VACANCIES
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Self-consistent calculations of spatial distributions of electrons, potentials, and energies of dissociation, cohesion, vacancy formation, and electron attachment, as well as the ionization potential of solid Al N , Na N clusters ( N ≥ 254), and clusters containing a vacancy ( N ≥ 12) have been performed using a model of stable jellium. The contribution of a monovacancy to the energy of the cluster, the size dependences of the characteristics, and their asymptotic forms have been considered. The calculations have been performed on the SKIT-3 cluster at the Glushkov Institute of Cybernetics, National Academy of Sciences of Ukraine (Rpeak = 7.4 Tflops).
ISSN:1063-7842
1090-6525
DOI:10.1134/S1063784218020251