2007
DOI: 10.1021/jp068318m
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Theoretical Investigation of the Gas-Phase Kinetics Active during the GaN MOVPE

Abstract: Quantum chemistry investigations have been performed to study the gas-phase chemistry active during the MOVPE of GaN when Ga(CH3)(3) and NH3, diluted in a H2 carrier gas, are used as precursors. Optimized molecular geometries, energies, and transition-state structures of gas-phase species have been determined with density functional theory at the B3LYP/6-311+g(d,p) level. On the basis of the similarity with the soot formation mechanism active during hydrocarbon combustion, we propose that in this system a gas-… Show more

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Cited by 26 publications
(29 citation statements)
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“…Moreover, the clusters can also introduce carbon contamination in the layer. Migration away from the substrate leads to further polymerization to eventually form particles up to several hundred nanometers in size. , The particle formation can significantly deplete the precursor flux, thereby reducing the epi-GaN growth rate. Due to these issues, the adduct pathway is considered as parasitic in GaN MOCVD and therefore to be avoided …”
Section: Gan Mocvd From Tmg and Nh3mentioning
confidence: 99%
“…Moreover, the clusters can also introduce carbon contamination in the layer. Migration away from the substrate leads to further polymerization to eventually form particles up to several hundred nanometers in size. , The particle formation can significantly deplete the precursor flux, thereby reducing the epi-GaN growth rate. Due to these issues, the adduct pathway is considered as parasitic in GaN MOCVD and therefore to be avoided …”
Section: Gan Mocvd From Tmg and Nh3mentioning
confidence: 99%
“…In the radical mechanism, the initial step is the thermal [27][28][29][30] The formation of dimers and tetramers of Zn(OH) 2 from monomers is energetically possible, but the dehydration reaction, Zn(OH) 2 →ZnO+H 2 O, is too endothermic to take place in the gas phase. 23) This was also confirmed in our present calculations.…”
Section: Discussionmentioning
confidence: 99%
“…This could be due to the increased parasitic gas phase reactions facilitated by N radicals (NH 2 ), which form adducts and particles, and consume the precursor supply to the growth surface. [24] Nevertheless, the LA-MOCVD growth technique is a viable approach to achieve fast GR MOCVD GaN with relatively high effective V/III ratio. Surface morphologies of two GaN samples grown on GaN on sapphires templates without and with laser excitation (250 W) were compared.…”
Section: Growth Of La-mocvd Ganmentioning
confidence: 99%