Phase transitions in CsPbBr<sub>3</sub>: evaluating perovskite behavior over different time scales
Lucas M. Farigliano, Fábio R. Negreiros, Gustavo M. Dalpian
Abstract
Tracking the soft dynamic nature of halide perovskites is challenging. Theoretical calculations and experiment comparisons are complex. We discuss how different strategies for calculating averages in AIMD can be tuned to specific measurements.
Topics & Concepts
Perovskite (structure)HalideTracking (education)Statistical physicsPhase transitionPhase (matter)Materials sciencePhysicsComputer scienceChemical physicsCondensed matter physicsChemistryPsychologyCrystallographyQuantum mechanicsInorganic chemistryPedagogyPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyMagnetic and transport properties of perovskites and related materials