Temperature-driven phase transitions in SrBi${}_2$Ta${}_2$O${}_9$ from first-principles calculations

R. Machado, M. Sepliarsky, M. G. Stachiotti

The phase transition sequence of SrBi${}_2$Ta${}_2$O${}_9$ is investigated using a shell model with parameters fitted to first-principles calculations. We show that the complex interplay…