High-pressure phase diagram, structural transitions, and persistent non-metallicity of BaBiO${}_3$: theory and experiment

Roman Martoňák, Davide Ceresoli, Tomoko Kagayama +3

BaBiO${}_3$ is a mixed-valence perovskite which escapes the metallic state through a Bi valence (and Bi-O bond) disproportionation or CDW distortion, resulting in a semiconductor wit…