Abstract

We analyze the shape and position of heteroepitaxial InAs islands on the top face of cylindrical GaAs(111)A nanopillars experimentally and theoretically. Catalyst-free molecular beam epitaxial growth of InAs at low temperatures on GaAs nanopillars results in InAs islands with diameters < 30 nm exhibiting predominantly rounded triangular in-plane shapes. The islands show a tendency to grow at positions displaced from the center towards the pillar edge. Atomistic molecular statics simulations evidence that triangular-prismatic islands centered to the pillar axis with diameters smaller than that of the nanopillars are energetically favored. Moreover, we reveal the existence of minimum-energy states for off-axis island positions, in agreement with the experiment. These findings are interpreted by evaluating the spatial strain distributions and the number of broken bonds of surface atoms as a measure for the surface energy. The preferred off-axis island positions can be understood in terms of an increased compliancy of the GaAs nanopillar beneath the island because of the vicinity of free surfaces, leading to a reduction of strain energy. The influence of surface steps on the energy of the system is addressed as well.

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