Effect of Spatial Correlations on the Electronic Properties of A_3B_5 Quaternary Nitrogen-Containing Solid Solutions

摘要

The short-range order in solid solutions of A_3B_5 semiconductors is investigated within the valence force field approximation.It is demonstrated that these solutions are characterized by specific types of short-range order,such as one-dimensional chains composed of nitrogen atoms along the [100] and [110] directions and In_2Ga_2 tetrahedra centered at nitrogen atoms.The main contribution to a considerable decrease in the band gap is made by a shift of states at the GAMMA point.This shift is associated only with the nitrogen atoms and does not depend on their local environment.The contribution from the interaction of different bands changes the localization of the wave function and depends strongly on the type of short-range order.