Effect of surface reconstructions on misfit dislocation formation in InAs/GaAs(001)

The effect of surface reconstructions on misfit dislocation (MD) formation in InAs/GaAs(001) is theoretically investigated using empirical interatomic potentials. According to the calculated cohesive energy using empirical interatomic potentials, in the case of InAs/GaAs(001) system applied surface reconstruction, the system with MD of a 5/7-atom ring core structure is stable compared with a coherently grown system at 3.0 monolayer, which is larger than that of the ideal surface. This result reveals that the energy gain due to MD formation on the reconstructed surface is smaller than that of the ideal surface. The analysis of atomic configurations of the reconstructed surface with MD confirms that the strains caused by MD formation destabilize the reconstructed surface. Furthermore, we estimate the growth behavior of InAs/GaAs(001) using macroscopic theory and find that MD formation is suppressed by surface reconstruction. These results suggest that surface reconstruction is crucial for MD formation and the resultant growth behavior. (C) 2019 The Japan Society of Applied Physics