First-principles study of n-type dopants and their clustering in SiC
We report the results of an ab initio study of N and P dopants in SiC. We find that while N substitutes most favorably at a C lattice site, P does so preferably at a Si site, except in n-doping and Si-rich 3C-SiC. Furthermore, we consider a series of dopant complexes that could form in high-dose imp...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2003 |
| País: | España |
| Institución: | Universitat Autònoma de Barcelona |
| Repositorio: | Dipòsit Digital de Documents de la UAB |
| Idioma: | inglés |
| OAI Identifier: | oai:ddd.uab.cat:116251 |
| Acceso en línea: | https://ddd.uab.cat/record/116251 https://dx.doi.org/urn:doi:10.1063/1.1583870 |
| Access Level: | acceso abierto |
| Palabra clave: | Doping Passivation Ab initio calculations Cluster analysis |
| Sumario: | We report the results of an ab initio study of N and P dopants in SiC. We find that while N substitutes most favorably at a C lattice site, P does so preferably at a Si site, except in n-doping and Si-rich 3C-SiC. Furthermore, we consider a series of dopant complexes that could form in high-dose implantation, in order to investigate the dopant activation behavior in this limit. We find that all N complexes considered lead to passivation through the formation of a deep level. For P, the most stable aggregate is still an active dopant, while passivation is only observed for complexes with a higher formation energy. We discuss how these results could help in the understanding of the observed experimental high-dose doping and codoping behavior of these species. |
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