Understanding the Potential of Light Absorption in Dots-in-Host Semiconductors

Abstract The outstanding physical properties of dots-in-host (QD@Host) hetero semiconductors demand detailed methods to fundamentally understand the best routes to optimize their potentialities for different applications. In this work, a 4-band k.p-based method was developed for rocksalt QDs that describes the complete optical properties of arbitrary QD@Host systems, trailblazing the way for the full opto-electronic analysis of quantum-structured solar cells. Starting with the determination of the QD bandgap, and validation against well-established literature results, the electron transition rate is then computed and analysed against the main system parameters. This is followed by a multi-parameter optimization, considering intermediate band solar cells as a promising application, where the best QD configuration was determined, together with the corresponding QD@Host absorption spectrum, in view of attaining the theoretical maximum efficiency (~ 50%) of this photovoltaic technology. The results show the creation of pronounced sub-bandgap absorption due to the electronic transitions from/to the quantum-confined states, which enables a much broader exploitation of the sunlight spectrum.