Nanoscale periodic domain patterns in tetragonal ferroelectrics: A phase-field study

Article

关键词: SINGLE-CRYSTAL;    GRAIN-ORIENTATION;    WALL INTERACTIONS;    POLARIZATION;    EVOLUTION;    SIMULATIONS;    MICROSTRUCTURE;    NANODOMAINS;    TRANSITIONS;    90-DEGREES;   

DOI  :  10.1103/PhysRevB.93.174120

来源: SCIE

【 摘 要 】

Ferroelectrics form domain patterns that minimize their energy subject to imposed boundary conditions. In a linear, constrained theory, that neglects domain-wall energy, periodic domain patterns in the form of multirank laminates can be identified as minimum-energy states. However, when these laminates (formed in a macroscopic crystal) comprise domains that are a few nanometers in size, the domain-wall energy becomes significant, and the behavior of laminate patterns at this scale is not known. Here, a phase-field model, which accounts for gradient energy and strain energy contributions, is employed to explore the stability and evolution of the nanoscale multirank laminates. The stress, electric field, and domain-wall energies in the laminates are computed. The effect of scaling is also discussed. In the absence of external loading, stripe domain patterns are found to be lower-energy states than the more complex, multirank laminates, which mostly collapse into simpler patterns. However, complex laminates can be stabilized by imposing external loads such as electric field, average strain, and polarization. The study provides insight into the domain patterns that may form on a macroscopic single crystal but comprising nanoscale periodic patterns, and on the effect of external loads on these patterns.

【 授权许可】

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