Assessing carrier mobility, dopability, and defect tolerance in the chalcogenide perovskite BaZrS${}_3$

Zhenkun Yuan, Diana Dahliah, Romain Claes +4

The chalcogenide perovskite BaZrS${}_3$ has attracted much attention as a promising solar absorber for thin-film photovoltaics. Here, we use first-principles calculations to evaluate…