Polarizing Oxygen Vacancies in Insulating Metal Oxides under a High Electric Field
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...
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| Formato: | Artigo |
| Idioma: | English |
| Publicado em: |
American Physical Society
2018
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| Acesso em linha: | http://hdl.handle.net/1721.1/114486 https://orcid.org/0000-0002-2688-5666 https://orcid.org/0000-0001-8966-4169 https://orcid.org/0000-0001-5735-0560 |