Vortex-to-Polarization Phase Transformation Path in Pb(ZrTi)O3 Nanoparticles
Ivan Naumov, Huaxiang Fu
Abstract
Phase transformation in finite-size ferroelectrics is of fundamental relevance for understanding collective behaviors and balance of competing interactions in low-dimensional systems. We report a first-principles effective Hamiltonian study of vortex-to-polarization transformation in Pb(Zr0.5Ti0.5)O3 nanoparticles, caused by homogeneous electric fields normal to the vortex plane. The transformation is shown to (1) follow an unusual macroscopic path that is symmetry non-conforming and characterized by the occurrence of a previously unknown structure as the bridging phase; (2) lead to the discovery of a striking collective phenomenon, revealing how ferroelectric vortex is annihilated microscopically. Interactions underlying these behaviors are discussed.
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