First-principles calculations of 2×2 reconstructions of GaN surfaces

Salinero, VT; Gibson, MC; Brand, S; Clark, SJ; Abram, RA

Abstract

e GaN and other group III nitrides have great importance in a wide range of technological applications. Difficulty in growing good quality epitaxial GaN currently prevents the full technological potential of this material. The ab initio studies presented employed the CASTEP implementation of the pseudopotential-plane wave method in order to obtain the minimum energy configurations of various GaN (0001) 2×2 surfaces involving N atoms. Based on these results we have characterized the effect of N in the adlayer surface and the stability dependence with number of substitutions as a function of the model employed and the possible surfactant character of some of the added atoms.

Citation

Salinero, V., Gibson, M., Brand, S., Clark, S., & Abram, R. (2004, July). First-principles calculations of 2×2 reconstructions of GaN surfaces. Presented at 27th International Conference on the Physics of Semiconductors : ICPS-27., Flagstaff, Arizona

• Presentation Conference Type: Conference Paper (published)
• Conference Name: 27th International Conference on the Physics of Semiconductors : ICPS-27.
• Start Date: Jul 26, 2004
• End Date: Jul 30, 2004
• Publication Date: Jan 1, 2005
• Deposit Date: Dec 20, 2010
• Publisher: American Institute of Physics
• Volume: 772
• Pages: 373-374
• Series Title: AIP Conference Proceedings
• DOI: https://doi.org/10.1063/1.1994143
• Public URL: https://durham-repository.worktribe.com/output/1168464