Structure and Energy of the 90° Partial Dislocations in Wurtzite-GaN
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 and core partials possess a midgap state. The -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 -core dislocations might contribute to the yellow luminescence. These dislocations experience a substantial charge polarization along the  growth axis. In addition, we show that these dislocations tend to charge in a high stress field.
Roberta Nipoti, Antonella Poggi and Andrea Scorzoni
G. Savini et al., "Structure and Energy of the 90° Partial Dislocations in Wurtzite-GaN", Materials Science Forum, Vols. 483-485, pp. 1057-1060, 2005