Quantum interference and long-range adsorbate-adsorbate interactions

Patterns of Organics on Substrates with Metallic Surface States: Why?, So??

“…More germanely, Co on Cu(111) forms long chains; the separation between Co atoms is both the nearest-neighbor distance and the spacing of the first minimum in the calculated Co-Co lateral interaction. Calculation of the diffusion barriers indicate that the adatoms will preferentially attach to the ends rather than forming a compact cluster [45]. Thus, the observed self-assembled structure is not the equilibrium configuration.…”

Self-organization of Ce adatoms onAg(111): A kinetic Monte Carlo study

“…Our ab initio calculations are based on density functional theory and multiple-scattering approach using the Korringa-Kohn-Rostoker Green's function method for low-dimensional systems. 12,20 The main contribution to the interaction energy at large adatom-adatom separations is well approximated by the single-particle energies alone. 12,21,22 We perform calculations of the interaction energies in the framework of the frozen potential approximation and use the Lloyd's formula for calculations of the single-particle energies.…”

“…12,20 The main contribution to the interaction energy at large adatom-adatom separations is well approximated by the single-particle energies alone. 12,21,22 We perform calculations of the interaction energies in the framework of the frozen potential approximation and use the Lloyd's formula for calculations of the single-particle energies. 21 As a benefit of this approach, calculations can be performed up to very large distances and very small interaction energies can be resolved.…”

“…Our ab initio calculations and other studies have shown that such approximation is well justified. 12,16 Periodic boundary conditions in the surface are applied in all calculations. The size of the simulation cell is 50 nmϫ 50 nm.…”

“…Experiments performed by means of the STM ͑Refs. 4 and 10͒ and ab initio calculations 11,12 have resolved surface-state mediated interactions at large adatom-adatom separations. The LRI potential depends on the type of the adsorbate atoms and the substrate.…”