Molecular dynamics simulation of polarization character of barium titanate crystal domains based on core-shell model
- Resource Type
- Conference
- Authors
- Tian, Xiao-bao; Yang, Xin-hua; Cao, Wei-zhong
- Source
- 2009 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications (SPAWDA 2009) Piezoelectricity, Acoustic Waves, and Device Applications (SPAWDA) and 2009 China Symposium on Frequency Control Technology, Joint Conference of the 2009 Symposium on. :83-83 Dec, 2009
- Subject
- Components, Circuits, Devices and Systems
Engineered Materials, Dielectrics and Plasmas
Signal Processing and Analysis
Fields, Waves and Electromagnetics
Polarization
Barium
Titanium compounds
Stress
Analytical models
Civil engineering
Virtual manufacturing
Lattices
core-shell model
barium titanate
oscillating equilibrium
- Language
The evolution of 180° domain in BaTiO 3 single-crystal is studied using molecular dynamics simulations with core-shell model. 2D polar vector is obtained by analyzing the polar character of crystal in the domain wall at certain conditions, and the polarization and stress inside the crystal are also investigated. It is found that both the polar vector and stress induced by electrical field in the BaTiO 3 crystal 180° domain are oscillating during the whole equilibrium process, and their oscillating cycles are the same.