Hybrid functional study on the ferroelectricity of domain walls with O-vacancies in PbTiO3

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...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Shogo TOMODA, Takahiro SHIMADA, Taku UEDA, Jie WANG, Takayuki KITAMURA
Formato: article
Lenguaje:EN
Publicado: The Japan Society of Mechanical Engineers 2015
Materias:
ferroelectricity oxygen-vacancy
domain wall
perovskite type oxide
density functional calculation
Mechanical engineering and machinery
TJ1-1570
Acceso en línea:https://doaj.org/article/ff1341ebfc9347e5b203d7d22d18fd36
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!

Internet

https://doaj.org/article/ff1341ebfc9347e5b203d7d22d18fd36

Ejemplares similares