An empirical potential approach to the formation of InAs stacking-fault tetrahedron in InAs/GaAs(111)

The structural stability of InAs stacking-fault tetrahedron (InAs-SFT) on GaAs(111) is systematically investigated in terms of strain relaxation by using an empirical potential incorporating electrostatic energy contribution. The InAs-SFT is more stable than coherently grown InAs on GaAs(111) beyond 21 monolayers (MLs), which are comparable with critical film thickness of misfit dislocation generation. Furthermore, SFT formation in InAs is more favorable than threading dislocation formation below the film thickness of ~60 MLs. These calculated results are qualitatively consistent with experimental results.