Core structures and kink migrations of partial dislocations in 4H-SiC

Savini, Gianluca, Heggie, Malcolm I and Öberg, Sven (2007) Core structures and kink migrations of partial dislocations in 4H-SiC. Faraday Discussions, 134 (-). pp. 353-357. ISSN 1359-6640

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First-principles calculations are used to investigate the Shockley partial dislocations in 4H-SiC. We show that both dislocations can sustain the asymmetric and symmetric reconstructions along the dislocation line. The latter reconstructions are always electrically active. In particular, the Si(g) 30° partials can explain the optical activation energy for the dislocation glide at ~2.4 eV above the VB, the narrow peak at 2.87 eV and the broadband at ~1.8 eV found in photoluminescence spectra. Further, we propose a new model to explain the stability of the symmetric reconstructions and the enhancement of the dislocation velocity in SiC. © The Royal Society of Chemistry.

Item Type: Article
Additional Information: GS planned the work, carried out the computer simulations and interpreted the results. GS is the main and corresponding author.
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Malcolm Heggie
Date Deposited: 06 Feb 2012 20:18
Last Modified: 27 Mar 2012 10:44
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