Structural, vibrational and quasiparticle properties of the Peierls semiconductor $\mathrm{BaBi}{\mathrm{O}}_3$: a hybrid functional and self-consistent GW+vertex-corrections study

C. Franchini, A. Sanna, M. Marsman +1

$\mathrm{BaBi}{\mathrm{O}}_3$ is characterized by a charge disproportionation with half of the Bi atoms possessing a valence 3+ and half a valence 5+. Because of selfinteraction errors, local and…