In adsorption and diffusion on In‐rich $(2×4)$ reconstructed InGaAs surfaces on GaAs(001)

We investigate the potential energy surface (PES) and the adsorption properties of an In adatom on InAs $(2×4)$ reconstructed wetting layers (WLs) deposited on a GaAs substrate. The results are then used to derive the diffusion properties of a single In adatom on the WLs. We find that: (i) the adsorbate diffusion is highly anisotropic; (ii) the adsorption sites within the As dimers have to be taken into account since they strongly affect diffusion; (iii) the most stable adsorption sites are the ones within the dimers and those located besides the in‐dimers.