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...
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| Auteurs principaux: | , , , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
The Japan Society of Mechanical Engineers
2015
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/ff1341ebfc9347e5b203d7d22d18fd36 |
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