Hybrid functional study on the ferroelectricity of domain walls with O-vacancies in PbTiO3
Nonlinear defect interactions between the 180° domain wall and oxygen-vacancies (O-vacancies) in PbTiO3, and the characteristic ferroelectricity due to the interactions are investigated using first-principles calculations based on the hybrid Hartree-Fock (HF) density functionals, which correctly rep...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
The Japan Society of Mechanical Engineers
2015-04-01
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| Series: | Mechanical Engineering Journal |
| Subjects: | |
| Online Access: | https://www.jstage.jst.go.jp/article/mej/2/3/2_15-00037/_pdf/-char/en |