Self consistent computation of electronic and optical properties of a single exciton in a spherical quantum dot via matrix diagonalization method

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In this study, we develop and demonstrate an efficient self-consistent calculation schema that computes the electronic structure and optical properties of a single exciton in a spherical quantum dot (QD) with an interacting pair of electron and hole wave functions. To observe modifications on bands, wave functions, and energies due to the attractive Coulomb potential, the full numeric matrix diagonalization technique is employed to determine sublevel energy eigenvalues and their wave functions in effective mass approximation. This treatment allows to observe that the conduction and valance band edges bend, that the electron and hole wave functions strongly localize in the QD, and that the excitonic energy level exhibits redshift. In our approach for the Coulomb term between electron and hole, the Poisson–Schrödinger equations are solved self-consistently in the Hartree approximation. Subsequently, exciton binding energies and associated optical properties are computed. The results are presented as a function of QD radii and photon energies. We conclude that all of these numerical results are in agreement with the experimental studies.