Reconstruction of the Second Layer of Ag on Pt(111): Extended Frenkel-Kontorova Model Articles uri icon

publication date

  • February 2009

start page

  • 85409

issue

  • 8

volume

  • 79

International Standard Serial Number (ISSN)

  • 1098-0121

Electronic International Standard Serial Number (EISSN)

  • 1538-4489

abstract

  • The reconstruction of an Ag monolayer on Ag/Pt(111) is analyzed theoretically, employing a vertically extended Frenkel-Kontorova model whose parameters are derived from density-functional theory. Energy minimization is carried out using simulated quantum annealing techniques. Our results are compatible with the scanning tunneling microscopy experiments, where a striped pattern is initially found which transforms into a triangular reconstruction upon annealing. In our model we recognize the first structure as a metastable state, while the second one is the true energy minimum.