Lateral interactions in rare gas monolayers: Band-structure models and photoemission experiments

Abstract

The linear rigorous cellular (LRC) band-structure method is extended to the description of dispersion effects in two-dimensionally periodic systems. The method is used to calculate band structures of isolated hexagonal rare gas monolayers xenon to neon. The theoretical dispersion of krypton monolayers agrees well with an experimental band structure derived by angle-resolved photoemission for krypton physisorbed on Pd (100) presented here for the first time. For argon physisorbed on Pd (100) the measured separation of the bands at normal emission agrees fairly well with the theoretical separation at $\Gamma$. Further, data for xenon on Pd (100) published recently are also in good agreement with our theoretical results.