First-Principles Investigation of Mechanical, Lattice Dynamical, and Thermodynamic Properties of BaTiO3 Polymorphs

Arpon Chakraborty, M. N. H. Liton, M. S. I. Sarker +2

BaTiO3 (BTO) is one of the most interesting classes of perovskite materials. The present study has been complied to explore some physical properties such as mechanical, vibrational…