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Computer modeling and simulation reveal a domain wall broadening mechanism that explains the domain size effect of enhanced piezoelectric properties in domain engineered ferroelectric single crystals. The simulation shows that, under electric field applied along the nonpolar axis of single crystal without domain wall motion, the domain wall broadens and serves as embryo of field-induced new phase, producing large reversible strain free from hysteresis. This mechanism plays a significant role in the vicinity of interferroelectric transition temperature and morphotropic phase boundary, where energy difference between stable and metastable phases is small. Engineered domain configuration fully exploits this domain wall broadening mechanism.

Domain wall broadening mechanism for domain size effect of enhanced piezoelectricity in crystallographically engineered ferroelectric single crystals