First-principles study of n-type dopants and their clustering in SiC
Rurali, Riccardo (Centro Nacional de Microelectrónica)
Godignon, Philippe (Centro Nacional de Microelectrónica)
Rebollo Palacios, José Andrés (Centro Nacional de Microelectrónica)
Hernández, Eduardo R. (Institut de Ciència de Materials de Barcelona)
Ordejon, Pablo (Institut de Ciència de Materials de Barcelona)
American Physical Society

Data:	2003
Resum:	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.
Drets:	Tots els drets reservats.
Llengua:	Anglès
Document:	Article ; recerca ; Versió publicada
Matèria:	Doping ; Passivation ; Ab initio calculations ; Cluster analysis
Publicat a:	Applied physics letters, Vol. 82, Issue 24 (June 2003) , p. 4298-4300, ISSN 1077-3118

DOI: 10.1063/1.1583870

4 p, 272.4 KB

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