Cl chemisorption on the Pd(001) surface: A self-consistent LCAO calculation of electronic structure


Journal Article

The total and partial densities of states and work functions for the clean Pd(001) surface and for a c(2×2) Cl overlayer on this surface are calculated using a self consistent Gaussian LCAO technique. The adlayer increases the work function of the clean surface by 0.8 eV and leads to a distinct split off feature in the total density of states. The band structure of the bands composing this feature are compared to the bands of the isolated Cl layer. © 1981.

Full Text

Duke Authors

Cited Authors

  • Greenside, HS; Hamann, DR

Published Date

  • January 1, 1981

Published In

Volume / Issue

  • 39 / 11

Start / End Page

  • 1129 - 1132

International Standard Serial Number (ISSN)

  • 0038-1098

Digital Object Identifier (DOI)

  • 10.1016/0038-1098(81)91098-X

Citation Source

  • Scopus