Polarizing Oxygen Vacancies in Insulating Metal Oxides under a High Electric Field.

@article{Youssef2017PolarizingOV,
  title={Polarizing Oxygen Vacancies in Insulating Metal Oxides under a High Electric Field.},
  author={Mostafa Youssef and Krystyn J Van Vliet and Bilge Yildiz},
  journal={Physical review letters},
  year={2017},
  volume={119 12},
  pages={126002}
}
We demonstrate a thermodynamic formulation to quantify defect formation energetics in an insulator under a high electric field. As a model system, we analyzed neutral oxygen vacancies (color centers) in alkaline-earth-metal binary oxides using density functional theory, Berry phase calculations, and maximally localized Wannier functions. The work of… CONTINUE READING