Coexistence of √3 ×√3 and quasi-linear phases of sulfur adsorbed (Θ = 1/3) on a gold (111) substrate.

We analyze with the aid of density functional theory and molecular dynamics simulations the adsorption of sulfur (S) on a Au(111) surface at different temperatures with a variety of geometries. We have found a new superficial phase in which sulfur atoms form a quasi-linear chain with energies very close to the expected . The results suggest the coexistence of both configurations at T < 300 K.