Quantum Markovian activated surface diffusion of interacting adsorbates

R. Martinez-Casado, A. S. Sanz, S. Miret-Artes

Published 2008-03-04, updated 2008-11-14Version 2

A quantum Markovian activated atom-surface diffusion model with interacting adsorbates is proposed for the intermediate scattering function, which is shown to be complex-valued and factorizable into a classical-like and a quantum-mechanical factor. Applications to the diffusion of Na atoms on flat (weakly corrugated) and corrugated-Cu(001) surfaces at different coverages and surface temperatures are analyzed. Quantum effects are relevant to diffusion at low surface temperatures and coverages even for relatively heavy particles, such as Na atoms, where transport by tunneling is absent.