Phys. Rev. B 79, 085409 (2009) [6 pages]Reconstruction of the second layer of Ag on Pt(111): Extended Frenkel-Kontorova modelReceived 24 October 2008; revised 18 December 2008; published 9 February 2009 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. © 2009 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.79.085409
DOI:
10.1103/PhysRevB.79.085409
PACS:
68.35.B−, 61.72.Bb, 68.35.Md, 68.55.−a
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.