Bound states of atoms at free surfaces
Phys. Rev. B 114, 305410 – Published 6 November, 2026
DOI: https://doi.org/10.1103/8ct8-9l27
Abstract
Quantum Monte Carlo simulations confirm the existence of a bound state of a single atom at a free superfluid surface in three dimensions, localized within an -Å-thick low-density surface layer, with a binding energy of approximately 5 K with respect to vacuum. As the temperature is raised above K the atom leaves the surface to dissolve into the superfluid. The situation is entirely different in two dimensions, as the atom is excluded from the superfluid and no surface bound state exists. Results are also presented for a atom binding to nanoscale size clusters adsorbed on weak substrates, a physical system that may allow for the observation of some of the physics predicted for extended surfaces. It is shown that a bound state localized at the perimeter of sufficiently small (a few tens of atoms) clusters exists not just on Cs, as previously reported, but on all alkali substrates.