[17p-C302-1~7] A new era of defect research starting with field fusion

[17p-C302-4] First-principles Study of Lattice-defect Multiferroics and Strain Engineering

〇Takahiro Shimada¹ (1.Kyoto Univ.)

Keywords:ferroelectrics, magnetism, first-principles

We have demonstrated via first-principles calculations that lattice defects such as dislocations and vacancies in ferroelectric PbTiO₃ and BaTiO₃ can induce localized magnetization around the defects. The lattice defects simultaneously exhibit both induced magnetism and host ferroelectricity, and are thus regarded as multiferroics with the atomic scale dimensions. We further showed that the defect-induced multiferrocitiy can be tailored by mechanical strain, which provides insight into a novel strain and defect engineering strategy.