Ab initio-based approach to the reconstruction on InAs(111)A wetting layer grown on GaAs substrate

The surface reconstructions on InAs(111)A wetting layer grown on GaAs substrate are investigated by our ab initio-based approach incorporating the chemical potentials of In atom and As molecules in the vapor phase as functions of temperature and beam equivalent pressure. The calculated results imply that the most stable surface structure of InAs with/without lattice constraint from the substrate is the In-vacancy surface under conventional growth conditions. The In-vacancy surface is dramatically stabilized on the wetting layer, since the atoms around the In-vacancy are easily displaced to effectively lower the strain energy due to the lattice constraint from the GaAs substrate. Distinctive feature between InAs(111)A surfaces with and without lattice constraint is found in the stable adsorption sites. In adatoms favor the In-vacancy site on the InAs without lattice constraint in contrast to the interstitial sites on the InAs wetting layer. These results suggest that the surface structure and adsorption-desorption behavior on the wetting layer are crucial for investigating the growth processes of nanostructures such as quantum dots and stacking fault tetrahedrons.