Fixed Volume Effect on Polar Properties and Phase Diagrams of Ferroelectric Semi-ellipsoidal Nanoparticles

For advanced applications in modern industry it is very important to reduce the volume of ferroelectric nanoparticles without serious deterioration of their polar properties. In many practically important cases fixed volume (rather than fixed size) corresponds to realistic technological conditions of nanoparticles fabrication. The letter is focused on the theoretical study of the behavior of ferroelectric polarization, paramagnetoelectric coefficient and phase diagrams of semi-ellipsoidal nanoparticles with fixed volume V. Our approach combines the Landau-Ginzburg-Devonshire phenomenology, classical electrostatics and elasticity theory. Our results show that the size effects of the phase diagrams and polarization of semi-ellipsoidal BiFeO3 nanoparticles nontrivially depends on V. These findings provide a path to optimize the polar properties of nanoparticles by controlling their phase diagrams at a fixed volume.Comment: 15 pages, 5 figures, we added the section IV. Paramagnetoelectric (PME) coefficient at fixed volume in this version and changed title and abstract accordingl

Screening-Induced Phase Transitions in Core-Shell Ferroic Nanoparticles

Using the Landau-Ginzburg-Devonshire approach, we study screening-induced phase transitions in core-shell ferroic nanoparticles for three different shapes: an oblate disk, a sphere, and a prolate needle. The nanoparticle is made of a ferroic CuInP2S6 core and covered by a "tunable" screening shell made of a phase-change material with a conductivity that varies as the material changes between semiconductor and metallic phases. We reveal a critical influence of the shell screening length on the phase transitions and spontaneous polarization of the nanoparticle core. Since the tunable screening shell allows the control of the polar state and phase diagrams of core-shell ferroic nanoparticles, the obtained results can be of particular interest for applications in nonvolatile memory cells.Comment: 22 pages, 6 figures, 1 Appendi

Low-Symmetry Monoclinic Ferroelectric Phase Stabilized by Oxygen Octahedra Rotations in Strained EuₓSr₁₋ₓTiO₃ Thin Films

Using Landau-Ginzburg-Devonshire theory and phase-field modeling, we explore the complex interplay between a structural order parameter (oxygen octahedron rotation) and polarization in EuxSr1-xTiO3 thin films. Under a biaxially tensile strain, a low-symmetry monoclinic phase with in-plane ferroelectric polarization is found to be stabilized by antiferrodistortive oxygen octahedra tilts. The monoclinic phase is stable over a wide temperature range. It is characterized by a large number of energetically equivalent polar and structural twin domains. This work demonstrates the development of a spontaneous polarization and piezo- and pyroelectricity in a ferroelastic twin boundary arising from flexoelectric coupling and rotostriction