We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry