INVESTIGADORES
DEL POPOLO Mario Gabriel
artículos
Título:
Work function calculation for thick metal slabs with local pseudopotentials
Autor/es:
LUIS REINAUDI, MARIO DEL POPOLO AND EZEQUIEL LEIVA
Revista:
SURFACE SCIENCE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 1997 vol. 372 p. 309 - 314
ISSN:
0039-6028
Resumen:
A new model for the calculation of the work functions of simple metals is presented, taking into account the type of single-crystal surface. It joins elements common to a number of other previous successful models employing density functional theory, namely finite metal slabs, local pseudopotentials and the self-consistent solution of an effective Schrödinger equation. Results are presented for the low-index crystal faces of aluminium and lead, and the compact faces of Zn and Mg. Comparison is made with previous results from other authors.
