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 STM 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.
@article{arxiv.0810.2801,
title = {Reconstruction of the second layer of Ag on Pt(111)},
author = {Raghani Pushpa and Javier Rodriguez-Laguna and Silvia N. Santalla},
journal= {arXiv preprint arXiv:0810.2801},
year = {2013}
}