Atomistic Simulation of Strain-Induced Domain Evolution in a Uniaxially Compressed BaTiO3 Single-Crystal Nanofilm

• DOI: 10.1007/s11664-013-2597-9
• Publication Date: 2013-05-01T06:18:43Z
• Authors: Xiao Bao Tian; Xin Hua Yang; Wei Zhong Cao
• Keywords: Barium titanate

A barium titanate single-crystal nanofilm subjected to a monotonically increasing uniaxial compressive strain load is simulated with the molecular dynamics method based on the shell model. A three-stage evolution process of a 180° stripe domain to a flux closure vortex-like domain consisting of four 90° stripe domains, then to a vortex–antivortex–vortex array, and finally to a new 180° stripe domain perpendicular to the initial stripe domain is observed when the strain varies from 0% to 2%. Both the stable condition and configuration of polarization vortexes in the compressed nanofilm are discussed.