New Concerted Mechanism of the Cl-Removal Reaction Induced by H2 in Chloride Atomic Layer Epitaxy
- 1 February 1993
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 32 (2A) , L197-199
- https://doi.org/10.1143/jjap.32.l197
Abstract
A new concerted mechanism is proposed to explain the Cl removal from the adsorbed GaCl on the outermost As surface, by the ab initio configuration interaction (CI) calculations on the simple model system of H2GaCl+H2. The proposed reaction scheme is written as >GaCl+H2→>GaH+HCl which occurs through the single-site collision of H2 with the adsorbed GaCl on the surface. Concerted electron delocalizations induced by H2 is the driving force to proceed the reaction. The present calculation predicts that the reaction is endothermic with an energy of 29 kcal/mol and has a four-centered transition state. The estimated activation energy is 83 kcal/mol, which will be reduced by improving the present cluster model.Keywords
This publication has 8 references indexed in Scilit:
- Temperature programmed desorption study of gallium chloride adsorbed on GaAs surfacesJournal of Crystal Growth, 1991
- Thermal Desorption of Galliumchloride Adsorbed on GaAs (100)Japanese Journal of Applied Physics, 1991
- Atomic Layer Epitaxy of III-V Electronic MaterialsAnnual Review of Materials Science, 1991
- Surface reaction mechanism of SiCl2 with carrier gas H2 in silicon vapor phase epitaxial growthJournal of Crystal Growth, 1991
- A quantum chemical study of chlorine desorption by hydrogen in the VPE of GaAsJournal of Crystal Growth, 1984
- The use of model potentials in molecular calculations. IThe Journal of Chemical Physics, 1982
- Kinetic aspects in the vapour phase epitaxy of III–V compoundsJournal of Crystal Growth, 1975
- Vapor growth kinetics of III–V compounds in a hydrogen-inert gas mixed carrier systemJournal of Crystal Growth, 1975