On the Phase Stability of Chalcogenide Perovskites

Chalcogenide perovskites have gained recent research attention as a promising semiconductor for photovoltaic and optoelectronic applications. In addition to the challenges that surround the synthesis and processing of these materials into devices, their phase stability in perovskite structures is an open research question. Reported syntheses presently lack clear phase stability criteria. In this work, we present a compelling phase stability analysis of sulfide ABS3 and selenide ABSe3 compounds on the basis of ionic radii and electronegativity arguments. This analysis is used to screen potential materials of interest as well as motivate further experimental research into several new perovskite compositions.