Electronic Structure and Stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) Vacancy Ordered Double Perovskites

Bruno Cucco (1) , Gaëlle Bouder (1) , Laurent Pedesseau (2) , Claudine Katan (1) , Jacky Even (2) , Mikaël Kepenekian (1) , George Volonakis (1)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 FOTON - Institut des Fonctions Optiques pour les Technologies de l'informatiON

Along the past few years, the vacancy-ordered halide double perovskites (VOHDP) have been extensively investigated as promising candidates for various optoelectronic applications. Among these compounds, Cs2TiBr6 and Cs2TiI6 are VOHDP that have been successfully synthesised, and are reported to be interesting photo-active materials with band-gaps well within the visible range (1.02-2.00 eV) and potentially good carrier transport properties.

Domaines: Chimie; Physique [physics]

Bruno Cucco, Gaëlle Bouder, Laurent Pedesseau, Claudine Katan, Jacky Even, et al.. Electronic Structure and Stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) Vacancy Ordered Double Perovskites. nanoGe Fall Meeting 2021, Oct 2021, Online, France. ⟨10.29363/nanoge.nfm.2021.196⟩. ⟨hal-03500075⟩