Elastic-Stress Domains and the Herringbone Reconstruction on Au(111)

Abstract

We suggest that the herringbone reconstruction of the Au(111) surface results from the spontaneous formation of "stress domains." The surface is described theoretically by a 2D Frenkel-Kontorova model. Upon including long-range elastic interactions, the stress-domain pattern is energetically favored. The surface topography and structure factor obtained by relaxing atomic coordinates using molecular dynamics bear a strong resemblance to scanning tunneling microscopy pictures and x-ray scattering data, respectively. Our numerical estimate for the separation between domain walls is consistent with experimental results.