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Calculations of the potential energy surface for tracer Ga and In adatomsabove three GaAs (111)A surface reconstructions are presented in order tounderstand the growth conditions required to form axial heterostructures inGaAs/InGaAs nano-pillars. In all calculations the Ga adatom has a stronger bondenergy to the surface than the In adatom. The diffusion barriers for Ga adatomsare 140meV larger than for In adatoms on the Ga vacancy surface, but they arecomparable on the As trimer surface. Also the binding energy for an In adatomis closer to that of a Ga adatom on the As trimer surface. We conclude that theAs trimer surface is preferable for adsorption of In and thus for selectiveformation of hetero-interfaces on (111) facets. This work helps explain therecent successful formation of axial GaAs/InGaAs hetero-interfaces in catalystfree nano-pillars.

Ab-Initio calculations of binding energy of In and Ga adatoms on three GaAs(111)A surface reconstructions