Electric field-induced oxygen vacancies in YBa2Cu3O7.

@article{Mariano2021ElectricFO,
  title={Electric field-induced oxygen vacancies in YBa2Cu3O7.},
  author={A Lorenzo Mariano and Roberta Poloni},
  journal={The Journal of chemical physics},
  year={2021},
  volume={154 22},
  pages={
          224703
        }
}
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 YBa2Cu3O7 in the 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… Expand

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