Fig. 6: First principles calculation results of the energy changes with respect to the different moving mode along one of the soft mode on Γ point. | Nature Communications

Fig. 6: First principles calculation results of the energy changes with respect to the different moving mode along one of the soft mode on Γ point.

From: A combinatory ferroelectric compound bridging simple ABO3 and A-site-ordered quadruple perovskite

Fig. 6

The red, yellow, blue lines correspond to Ti-O displacements only, Hg-O displacements only and Pb-O displacements only. The black line corresponds to all atoms displacements. The double well structure of the graph indicates the spontaneous structure phase transition.

Back to article page