| dc.creator | Osorio Guillén, Jorge Mario | |
| dc.creator | Lany, Stephan | |
| dc.creator | Zunger, Alex | |
| dc.date | 2017-08-22T21:23:55Z | |
| dc.date | 2017-08-22T21:23:55Z | |
| dc.date | 2010 | |
| dc.date.accessioned | 2023-08-28T19:56:52Z | |
| dc.date.available | 2023-08-28T19:56:52Z | |
| dc.identifier | Osorio Guillén, J. M., Lany, S., & Zunger, A. (2010). Nonstoichiometry and hole doping in NiO. AIP Conference Proceedings. 1199(1), 128-129.DOI: http://dx.doi.org/10.1063/1.3295330 | |
| dc.identifier | 1551-7616 | |
| dc.identifier | http://hdl.handle.net/10495/7998 | |
| dc.identifier | http://dx.doi.org/10.1063/1.3295330 | |
| dc.identifier | 1935-0465 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/8471362 | |
| dc.description | ABSTRACT: We have study by means of DFT+U and thermodynamic calculations the doping response of the p-type transparent oxide NiO. We have found from the calculated defect formation enthalpies that Ni vacancy, not the O interstitial, is the main source of nonstoichiometry in NiO. On the other hand, the calculated free-hole concentration at room temperature of pure NiO remains very low compared to the concentration of Ni vacancies; this is due to the too large ionization energy of the Ni vacancy. The free-hole concentration can be strongly increased by extrinsic dopants with a more shallow donor as it is illustrated for the case of Li. | |
| dc.format | application/pdf | |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | The American Physical Society | |
| dc.publisher | Ciencia de los Materiales | |
| dc.publisher | Estados Unidos | |
| dc.rights | Atribución-NoComercial-SinDerivadas 2.5 Colombia | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.rights | http://creativecommons.org/licenses/by-nc-nd/2.5/co/ | |
| dc.rights | http://purl.org/coar/access_right/c_abf2 | |
| dc.rights | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.subject | Óxido de níquel | |
| dc.subject | Energías de formación | |
| dc.subject | Defectos intrínsecos | |
| dc.subject | Niveles de defectos | |
| dc.subject | Dopaje de agujeros | |
| dc.title | Nonstoichiometry and hole doping in NiO | |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/conferenceObject | |
| dc.type | info:eu-repo/semantics/publishedVersion | |
| dc.type | http://purl.org/coar/resource_type/c_2df8fbb1 | |
| dc.type | https://purl.org/redcol/resource_type/ART | |
| dc.type | Artículo de investigación | |
