Peierls barriers and core properties of partial dislocations in SiC

Savini, G, Heggie, M I and Öberg, Sven (2006) Peierls barriers and core properties of partial dislocations in SiC. In: International Conference on Silicon Carbide and Related Materials 2005, (ICSCRM 2005);, Pittsburgh, PA; 18 September 2005 through 23 September 2005; Code 70892.

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First-principles calculations are used to investigate the partial dislocations in 4H-SiC. We show that the stability of the dislocation cores and the Peierls barriers of the first kind are chargestate dependent. In intrinsic bulk the partials are stable in the neutral asymmetric reconstructions. These reconstructions have no deep states and are characterized by high Peierls barriers. In strongly doped regime the symmetric reconstructions can become more stable. These reconstructions are always electrically active with a half filled band across the band gap. In particular the symmetric reconstructions of the 30° partial have a lower Peierls barriers than the respective asymmetric ones and could be the cause of the 1.8 eV electroluminescence peak observed under carrier injection conditions.

Item Type: Conference or Workshop Item (Paper)
Additional Information: Published in: Materials Science Forum
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Malcolm Heggie
Date Deposited: 06 Feb 2012 20:54
Last Modified: 28 Mar 2012 14:25
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