Phase transition and mechanical properties of cesium bismuth silver halide double perovskites (Cs<sub>2</sub>AgBiX<sub>6</sub>, X = Cl, Br, I): a DFT approach
Mahdi Faghihnasiri, Javad Beheshtian, Farzaneh Shayeganfar, Rouzbeh Shahsavari
Abstract
double perovskites, identifying a pseudo-cubic (ps-cubic) phase, which is similar to the initial cubic phase. The observed pseudo-cubic phase is more consistent with previous experimental results demonstrating higher elastic properties, which are useful for designing optoelectronic devices.
Topics & Concepts
BismuthHalidePerovskite (structure)CaesiumMaterials scienceInorganic chemistryPhase (matter)Phase transitionChemistryCrystallographyCondensed matter physicsMetallurgyPhysicsOrganic chemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography