IMF2017

Using temperature dependent genome-like ion properties, radii and polarizability, as discussed in “NSMM Review – Part III and Part IV, respectively, we demonstrate the ability of NSMM to identify and a priori predict both polarization- and volume-induced structural phase transitions of “simple” and “simply mixed” Pm3m Perovskites. In combination with geometric considerations, these results allow us to physically understand why the majority of “simple” and “simply mixed” Perovskites are not cubic Pm3m at room temperature and thus why so many of them undergo structural phase transitions from the prototypic cubic symmetry. Further, we demonstrate the ability of NSMM to predict the temperature dependent relative permittivity of some Perovskite materials.