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Published online by Cambridge University Press: 17 March 2011
The minimum energy atomic configurations of stacked GaAs/InAs/GaAs quantum dot structures are calculated by using the conjugate gradient energy minimization with the Stillinger-Weber potentials. The islands are assumed to be either of pyramidal shape or of trapezoidal shape. The numerical results for the five-layer stacked structures show that the normal strains exhibit stepwise up-and-down profiles through the vertical centerlines of the islands and intermediate layers. Next, the molecular dynamics method with the Tersoff potential is applied to single Ge/Si and Si/Ge/Si structures with pyramidal islands in order to investigate the effect of temperature. It is found that there is a considerable difference between the normal strain in the direction perpendicular to the island base obtained by the conjugate gradient minimization with the Stillinger-Weber potential and that obtained by the molecular dynamics method at 800 K.