Large-scale semi-empirical pseudopotential electronic structure of self-assembled InGaAs quantum dots

The so-called second quantum revolution emerged at the beginning of the second millennium, opening up a path to realization of spin-qubit-based quantum computing by means of controlling and protecting quantum coherent processes. Thus, along this spirit, the self-assembled quantum dots (SAQD) made a tran- sition from conventional optoelectronic devices to spin-qubit applications. One specific problem that can benefit from this is the electron spin resonance (ESR) of a single-electron in a SAQD which could not be reproduced after its demonstration for more than ten years. The lack of insight for the electronic structure of SAQDs and g-factors changing with its properties might be the underlying reason for the decade-old puzzle. Towards the goal of understanding the ESR, atomistic large-scale semi-empirical electronic structures of InGaAs SAQDs having different shapes, sizes and indium concentrations are calculated using linear combination of bulk bands method. Two approaches to extract envelopes of the wave functions are demonstrated since the resulting wave functions have the fast fluctuations and understanding them might not be always possible. Calculated electronic structures and wave functions are compared and were found to be in agreement with the general theoretical and experimental findings paving the way to the calculation of g-factors in accordance with our eventual aim.