Paper Title:

Ab-Initio Study of Dopant Interstitials in 4H-SiC

Periodical Materials Science Forum (Volumes 483 - 485)
Main Theme Silicon Carbide and Related Materials 2004
Edited by Roberta Nipoti, Antonella Poggi and Andrea Scorzoni
Pages 523-526
DOI 10.4028/www.scientific.net/MSF.483-485.523
Citation Alexander Mattausch et al., 2005, Materials Science Forum, 483-485, 523
Online since May, 2005
Authors Alexander Mattausch, M. Bockstedte, Oleg Pankratov
Keywords Aluminum, Boron, Dopant Diffusion, Nitrogen, Phosphorus
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Abstract

We investigated the the interstitial configurations of the p-type dopants boron and aluminum and the n-type dopants nitrogen and phosphorus in 4H-SiC by an ab initio method. In particular, the energetics of these defects provides information on the dopant migration mechanisms. The transferability of the earlier results on the boron migration in 3C-SiC to the hexogonal polytype 4H-SiC is verified. Our calculations suggest that for the aluminum migration a kick-out mechanism prevails, whereas nitrogen and phosphorus diffuse via an interstitialcy mechanism.