okamoto-jjap-35-l1641

Data for reference okamoto-jjap-35-l1641

Theoretical Study of the Surface Reaction Mechanism of GaN with HCl

Y Okamoto, T Takada, Y Mochizuki

Japanese Journal of Applied Physics 35(12B), L1641 (1996).

Ab initio molecular orbital calculations are performed to investigate the three successive surface reactions of GaN with HCl. These reactions correspond to the simplest model which accounts for GaN chemical etching by HCl. We observed two characteristic points about these reactions. First, all of these reactions are exothermic and the reaction energies are about 20-29kcal/mol. Second, the activation energy of the reaction decreases as the number of Ga-Cl bonds increases. The calculation shows that the first reaction of the GaN surface with HCl is the rate-determining one and the calculated reaction barrier is less than 10kcal/mol.

Contributed by A.E. Nikolaev from pp-12.convey.ru. on Saturday, June 21, 1997 10:18:58 AM

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