Kinetic Monte Carlo simulation of the nitridation of the GaAs (100) surfaces

Details Kinetic Monte Carlo simulation of the nitridation of the GaAs (100) surfaces Kinetic Monte Carlo simulation of the nitridation of the GaAs (100) surfaces

2006-03-05

arxiv.org/abs/cond-mat/0603111v1

Braz. J. Phys. 36(2a), 305-308(2006)

Physics

Condensed Matter

Other Condensed Matter

4 pages, 7 figures, accepted for publication in Braz. J. Phys., special number, Proceedings of BWSP-12, 12th Brazilian Worksho

Scientific paper

10.1590/S0103-97332006000300019

We present, in this work, our preliminary results of a systematic theoretical study of the adsorption of N over As-terminated GaAs (100) (2$\times$1) surfaces. We analyzed the changes in the bond-lenghts, bond-angles and the energetics involved before and after deposition. Our results show that the N-atoms will prefer the unoccupied sites of the surface, close to the As dimer. The presence of the N pushes the As dimer out of the surface, leading to the anion exchange between the N and As atoms. Based on our results, we discussed about the kinetics of the N islands formation during epitaxial growth of the III-Nitrides.

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