Abstract
In this work, we propose a correction to the effective mass approach (EMA) to be used in Si quantum dot simulations. This correction tries to connect the different ways of modeling quantum dots within tight binding (considering the actual positions of the atoms and using additional atoms to passivate the surfaces) with those within the EMA, adapting the size of the simulated quantum dots to take the difference into account. With this aim, we implemented a 6×6 k⋅p calculation for the valence band and used a nonparabolic and anisotropic model for the conduction band to study hole and electron confinement, respectively. We then tested and used a very fast computational algorithm to obtain the electron and hole spectra in both cubic- and spherical-shaped quantum dots.
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