Fig. 2: Stability of SD and PD states under different surface screening conditions. | npj Computational Materials

Fig. 2: Stability of SD and PD states under different surface screening conditions.

From: Bidirectional mechanical switching window in ferroelectric thin films predicted by first-principle-based simulations

Fig. 2

a Total energy of ferroelectric thin films with SD state (blue cubes and solid line) and PD state with a reversed domain r0 = 4a0 (red triangles and solid line) as a function of surface screening factor β. b Schematics of the energy landscape of the two states under different surface screening conditions. c, d β dependence of the total polarization of the ferroelectric thin films initialized to be a SD state (blue cubes and solid line) and a PD state with a reversed domain r0 = 4a0 (red triangles and solid line). e, f Evolution of the equilibrium domain patterns in ferroelectric thin films initialized to be a SD state (top) and a PD state with a reversed domain r0 = 4a0 (bottom) with the decrease of β.

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