{"corpus_id":120952028,"paper_sha":"6a628f74c0b5cc253c3a5f026fd9c183a2fda43e","doi":"10.1063/1.2053360","arxiv_id":null,"pmid":null,"pmcid":null,"mag_id":1966189370,"dblp_id":null,"acl_id":null,"title":"Oxygen vacancies in ZnO","year":2005,"publication_date":"2005-09-14","venue":"","journal":{"name":"Applied Physics Letters","pages":"122102","volume":"87"},"journal_issn":null,"journal_title":null,"publication_types":[],"pubmed_pub_types":null,"s2_fields_of_study":["Materials Science","Physics"],"reference_count":20,"citation_count":1098,"influential_citation_count":14,"is_open_access":false,"arxiv_categories":null,"arxiv_license":null,"arxiv_journal_ref":null,"mesh_headings":null,"chemicals":null,"comments_corrections":null,"source_flags":1,"s2_open_access_pdf_url":null,"s2_open_access_landing_url":null,"s2_open_access_license":null,"s2_open_access_status":null,"pmc_open_access_pdf_url":null,"pmc_open_access_landing_url":null,"pmc_open_access_license":null,"pmc_open_access_status":null,"unpaywall_open_access_pdf_url":null,"unpaywall_open_access_landing_url":null,"unpaywall_open_access_license":null,"unpaywall_open_access_status":null,"abstract":"The electronic properties of ZnO have traditionally been explained by invoking intrinsic defects. In particular, the frequently observed unintentional n-type conductivity has often been attributed to oxygen vacancies. We report first-principles calculations showing that the oxygen vacancy VO is not a shallow donor, but has a deep ε(2+∕0) level at ∼1.0eV below the conduction band. The negative-U behavior that causes the 1+charge state to be unstable is associated with large local lattice relaxations. We present a detailed configuration coordinate diagram, which allows us to provide a detailed interpretation of recently reported ODEPR (optically detected electron paramagnetic resonance) measurements [L. S. Vlasenko and G. D. Watkins, Phys. Rev. B 71, 125210 (2005)].","claims":[{"public_id":"cl_5ffa57fcba3197147fd9aadad947a4d6","status":"active","text":"A detailed configuration coordinate diagram is used to interpret recently reported optically detected electron paramagnetic resonance measurements.","confidence":0.9,"contributors":[{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["extraction"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/claims/cl_5ffa57fcba3197147fd9aadad947a4d6"},{"public_id":"cl_751a3f626d178d94b90929cf95fbb1ac","status":"active","text":"Negative-U behavior makes the 1+ charge state unstable because of large local lattice relaxations.","confidence":0.97,"contributors":[{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous 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