Variational spherical model of small metallic particles

1 de maio de 1981

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.

Autores da comunidade :

• 

  J

  José Luís Rodrigues Júlio Martins

  ist13146

  Afiliações e fontes

  IST > DF

  Departamento de Física

  De: orcid

  ID: 16768413

Elsevier

https://www.sciencedirect.com/science/article/abs/pii/0039602881902107

Surface Science

265

271

106

1-3

10.1016/0039-6028(81)90210-7

physical-sciences - Física

eng - Inglês