Numerical investigation of nanoscale electromechanical response in a ferroelectric perovskite through an atomistic field theory. (17th February 2019)

• Record Type: Journal Article
• Authors: Li, Meng; Lin, Liqiang; Guo, Ruyan; Bhalla, Amar; Zeng, Xiaowei
• Is Part Of: Ferroelectrics. Volume 540(2019)
• Page Start: 124
• Page End: 137
• Publication Date: 2019-02-17
• Subjects: Shell model -- atomistic field theory -- ferroelectric perovskite -- polarization switching -- atomistic simulation; Ferroelectricity -- Periodicals; Ferroelectric crystals -- Periodicals; 537
• DOI: 10.1080/00150193.2019.1611111
• Languages: English
• ISSNs: 0015-0193

Abstract

Abstract: An atomistic field theory was introduced to study the electromechanical response in a ferroelectric perovskite at nanoscale. Based on a shell model potential, the polarization switching process of a ferroelectric perovskite PbTiO3 under electric field and mechanical loading was investigated. The simulation results showed that external electric field applied opposite to the initial polarization direction could result in 180° polarization switching in PbTiO3 nanostructures as the external electric field increased. On the other hand, mechanical loading applied parallel to initial polarization could cause 90° nanoscale polarization rotation in PbTiO3. Ultimately, the simulation results indicated that the coupled loads of electric field and mechanical loading would influence the polarization switching in PbTiO3 nanostructures.