Structure and energy of the 90° partial dislocations in wurtzite-GaN

Savini, G, Heggie, M I, Ewels, C P, Martsinovich, N, Jones, R and Blumenau, A T (2005) Structure and energy of the 90° partial dislocations in wurtzite-GaN. In: 5th European Conference on Silicon Carbide and Related Materials, ECRSCRM2004, Bologna; 31 August 2004 through 4 September 2004; Code 70376.

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90° Shockley partial dislocations in GaN are investigated by first-principles calculations. This work is focussed on the electrical properties of dislocation cores, and on investigating the electrical fields around these defects. The band structure analysis shows that both the a and ß core partials possess a midgap state. The ß-core dislocations give rise to a donor level Ev + 0.87 eV that might explain the absorption peak at 2.4 eV revealed by energy loss spectroscopy measurements. The acceptor level Ev + 1.11 eV localized at the a-core dislocations might contribute to the yellow luminescence. These dislocations experience a substantial charge polarization along the [0001] growth axis. In addition, we show that these dislocations tend to charge in a high stress field.

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 18:28
Last Modified: 19 Mar 2012 09:20
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