Electric field-induced oxygen vacancies in YBa2Cu3O7 - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue The Journal of Chemical Physics Année : 2021

Electric field-induced oxygen vacancies in YBa2Cu3O7

Résumé

The microscopic doping mechanism behind the superconductor-to-insulator transition of a thin film of YBa2Cu3O7 was recently identified as due to the migration of O atoms from the CuO chains of the film. Here we employ density-functional theory calculations to study the evolution of the electronic structure of a slab of YBa2 Cu3 O7 in presence of oxygen vacancies under the influence of an external electric field. We find that under massive electric fields isolated O atoms are pulled out of the surface consisting of CuO chains. As vacancies accumulate at the surface, a configuration with vacancies located in the chains inside the slab becomes energetically preferred thus providing a driving force for O migration towards the surface. Regardless of the defect configuration studied, the electric field is always fully screened near the surface thus negligibly affecting diffusion barriers across the film.
Fichier principal
Vignette du fichier
YBCO-electric-field.v5.pdf (2.53 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03046259 , version 1 (08-12-2020)

Identifiants

Citer

Lorenzo A. Mariano, Roberta Poloni. Electric field-induced oxygen vacancies in YBa2Cu3O7. The Journal of Chemical Physics, 2021, 154 (22), pp.224703. ⟨10.1063/5.0048597⟩. ⟨hal-03046259⟩
22 Consultations
75 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More