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

Date:	2003
Abstract:	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.
Rights:	Aquest material està protegit per drets d'autor i/o drets afins. Podeu utilitzar aquest material en funció del que permet la legislació de drets d'autor i drets afins d'aplicació al vostre cas. Per a d'altres usos heu d'obtenir permís del(s) titular(s) de drets.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Doping ; Passivation ; Ab initio calculations ; Cluster analysis
Published in:	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

The record appears in these collections:
Articles > Research articles
Articles > Published articles