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Atomistic Simulation of Undissociated 60° ; Basal Dislocation in Wurtzite GaN.

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DOI: 10.4236/mnsms.2013.34B003    2,777 Downloads   4,561 Views   Citations

ABSTRACT

We have carried out computer atomistic simulations, based on an efficient density functional based tight binding method, to investigate the core configurations of the 60°basal dislocation in GaN wurtzite. Our energetic calculations, on the undissociated dislocation, demonstrate that the glide configuration with N polarity is the most energetically favorable over both the glide and the shuffle sets.

Conflicts of Interest

The authors declare no conflicts of interest.

Cite this paper

I. Belabbas, J. Chen, P. Komninou and G. Nouet, "Atomistic Simulation of Undissociated 60° ; Basal Dislocation in Wurtzite GaN.," Modeling and Numerical Simulation of Material Science, Vol. 3 No. 4B, 2013, pp. 11-16. doi: 10.4236/mnsms.2013.34B003.

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