Analysis of ferroelectrics using molecular dynamics



Takahiro Tsuzuki
Department of Physical Science and Engineering
Nagoya Institute of Technology, Japan

11. Mai 2022, 17:00
WW8, Zoom, Fürth


My objective of research is analysis of defect effects on ferrelectric domain using molecular dynamics simulation. I analyzed defect effects during domain switching of BaTiO3. I found 1st neighbor divacancies of VBa-VO and VTi-VO assist the domain growth when the defect dipole is parallel to the applied electric field direction. And I found the domain growth speed towards applied electric field direction is two orders rather than that towards pependicular direction.