The atomic and electronic structures of misfit dislocations in InAs/GaAs(110) and GaAs/InAs(110) hetero-interfaces were investigated by means of first-principles calculations and scanning tunnelling microscopy. The calculations showed that cores confined at InAs/GaAs(110) hetero-interfaces contained 5-fold coordinated In atoms. The surface just above the dislocation line was depressed, and the calculated vertical displacement was about 0.052nm when the InAs epilayer thickness was equal to 4 monolayers. This value was in good agreement with the scanning tunnelling microscopic observations. In the case of GaAs/InAs hetero-epitaxy, the core structures changed markedly with increasing GaAs epilayer thickness.

First-Principles Calculations on Atomic and Electronic Structures of Misfit Dislocations in InAs/GaAs(110) and GaAs/InAs(110) Heteroepitaxies N.Oyama, E.Ohta, K.Takeda, K.Shiraishi, H.Yamaguchi: Journal of Crystal Growth, 1999, 201-202, 256-9