Spatially non-uniform field response in arrays of silicon quantum dots: DFT computation

We use Density Functional Theory (DFT) combined with the many body perturbation theory to calculate spatially non-uniform field response in several hydrogen-passivated silicon nanosystems, such as Si₂₉H₃₆ quantum dots (QDs) with crystalline and amorphous structures, the quasi-one dimensional (1-D) arrays constructed from these QDs. We model response to a spatially non uniform time dependent electric field that vanishes on every other QD. Current density induced by such electric field configurations serves as a characteristic of QD coupling in the arrays and, in particular, of the inter QD exciton transport. We observe rapid decay of the QD-QD coupling with the increase of inter QD separation and its complete diminishing at the QD-QD distance comparable with the size of the QD.