First-principles analysis of ferroelectric transition in MnSnO3 and MnTiO3 perovskites

First-principles study demonstrates how ferroelectric transitions occur in high pressure phase of Pnma MnSnO3 and MnTiO3. MnSnO3 which has a lower tolerance factor showed a higher amplitude of ferroelectric mode (Γ4-) and larger octahedral distortions than MnTiO3. However, MnTiO3 showed a larger spontaneous polarization than MnSnO3 due to high Born effective charges of titanium.112