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Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots

R. Santoprete·Belita Koiller·R. B. Capaz·P. Kratzer·Q. K. K. Liu·M. Scheffler
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Abstract

We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical $s p^{3} s^{*}$ tight-binding (ETB) model with interactions up to 2nd nearest neighbors and spin-orbit coupling. Results for the model system of capped pyramid-shaped InAs QD's in GaAs, with supercells containing $10^{5}$ atoms are presented and compared with previous empirical pseudopotential results. The good agreement shows that ETB is a reliable alternative for an atomistic treatment. The strain is incorporated through the atomistic valence force field model. The ETB treatment allows for the effects of bond length and bond angle deviations from the ideal InAs and GaAs zincblende structure to be selectively removed from the electronic-structure calculation, giving quantitative information on the importance of strain effects on the bound state energies and on the physical origin of the spatial elongation of the wave functions. Effects of dot-dot coupling have also been examined to determine the relative weight of both strain field and wave function overlap.

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R. Santoprete, Belita Koiller, R. B. Capaz, P. Kratzer, Q. K. K. Liu, M. Scheffler. 2003-09-25. Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots. https://doi.org/10.1103/physrevb.68.235311

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