Size-dependent electromechanical response and ferroelectric behavior of engineered morphotropic phase boundary PbZr1−Ti O3 nano-heterostructures

Theoretical Studies on Controlling the Chirality of Helical Polarization Vortices in Ferroelectric Nanowires: Implications for Reconfigurable Electronic Devices

“…Such an increase of energy brings about the favorable formation of the T -phase in the BZT05 segment since the formation of the T -phase in its bulk counterpart requires slightly larger energy in comparison to that of the O -phase . In addition, T -phase polarization in the BT segment tends to elongate to some extent in the BZT05 segment, in order to retain the polar continuity . When r = 3.0 nm, the trivial rectilinear domain is preserved in the BT segment, while a vortex structure forms in the BZT05 segment (Figure b).…”

“…The total energy Ψ can be obtained by integrating the electrical enthalpy over the volume V of the nanowires, as Ψ = ∫ V ψ d V . In addition, the equilibrium conditions for mechanical and electrical fields must be satisfied, which are expressed as ∂ σ i j ∂ x j = 0 and ∂ D i ∂ x j = 0 where the stress σ ij and the electric displacement D i are calculated based on the second law of thermodynamics, as σ i j = ∂ ψ ∂ ε i j = c i j k l ( ε i j − ε i j 0 ) D i = prefix− ∂ ψ ∂ E i = κ c E i + p i To solve the set of equilibrium equations (eqs –), we use a numerical algorithm based on the finite element method, which is detailed in our previous studies. ,, …”

“…On the other hand, dipole–dipole interactions between two different ferroelectric phases, such as tetragonal, orthorhombic, monoclinic, and rhombohedral phases, can distort polarization directions from the corresponding bulk orientations to reduce the polar discontinuity, thus minimizing the electrostatic energies. The distortions bring about asymmetry or even chiral character in the polarization field, , thus promising to achieve exotic topological polarization textures. However, such manipulation of dipole–dipole interaction for achieving topological textures has remained elusive.…”

Remarkable flexibility in freestanding single-crystalline antiferroelectric PbZrO3 membranes

“…The whole potential energy is the sum of the following three parts as the short-range interaction between shells in a Buckingham potential, the shortrange anharmonic interaction between core and shell, and the long-range Coulombic interaction [49][50][51] . Some basic properties, such as ferroelectric aging 52 , electrocaloric effect at ferroelectricantiferroelectric phase boundary 53 , high-temperature ferroelectric domain structure 54 and piezoelectric effect 55 could also be reproduced with this potential. The paraelectric PbZrO 3 membrane was initially created at 600 K along x-[100], y-[010] and z-[001].…”