Structure of Ag(410) and Cu(320)

Durukanoglu S., Rahman T.

PHYSICAL REVIEW B, vol.67, no.20, 2003 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 67 Issue: 20
  • Publication Date: 2003
  • Doi Number: 10.1103/physrevb.67.205406
  • Journal Name: PHYSICAL REVIEW B
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Istanbul Technical University Affiliated: No


We present results of calculations of atomic relaxations on two stepped surfaces Ag(410) and Cu(320) using interatomic potentials from the embedded atom method. Relaxations are found to extend several layers into the bulk, the most striking feature of which is the nonuniform character in damping magnitudes of interlayer relaxations away from the surface into the bulk. The calculated contractions (with respect to the bulk) of 11.6, 5.3, and 9.9 % for the top three interlayer separations of Ag(410) are followed by expansion of 2.1 and 6.7% for the subsequent two interlayer spacings. For Cu(320) contractions of 13.6 and 9.2% of the first two interplaner distances are followed by expansion of 2.9%, contraction of 8.8%, and expansion of 10.7% for the next three. These results are compared with the recent low energy electron diffraction data. Moreover, characteristics in the atomic relaxations around the steps are traced to the changes, relative to the bulk, in the local force fields in these vicinities.