Por favor, use este identificador para citar o enlazar este ítem:
https://hdl.handle.net/10495/7998| Título : | Nonstoichiometry and hole doping in NiO |
| Autor : | Osorio Guillén, Jorge Mario Lany, Stephan Zunger, Alex |
| metadata.dc.subject.*: | Óxido de níquel Energías de formación Dopaje de huecos |
| Fecha de publicación : | 2010 |
| Editorial : | The American Physical Society |
| Citación : | 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 |
| Resumen : | 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. |
| metadata.dc.identifier.eissn: | 1935-0465 |
| ISSN : | 1551-7616 |
| metadata.dc.identifier.doi: | http://dx.doi.org/10.1063/1.3295330 |
| Aparece en las colecciones: | Artículos de Revista en Ciencias Exactas y Naturales |
Ficheros en este ítem:
| Fichero | Descripción | Tamaño | Formato | |
|---|---|---|---|---|
| OsorioJorge_2010_NonstoichiometryHoleDoping.pdf | Artículo de investigación | 82.6 kB | Adobe PDF | Visualizar/Abrir |
Este ítem está sujeto a una licencia Creative Commons Licencia Creative Commons
