Quantum Chemical Study on Interactions of Diethylzinc with Nitrous Oxide and Water for ZnO Growth by Metal–Organic Vapor Phase Epitaxy
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概要
- 論文の詳細を見る
Quantum chemical study on vapor reactions of ZnO growth by metal–organic vapor phase epitaxy (MOVPE) was carried out. Especially, the reaction natures between diethylzinc (DEZn) and different oxygen sources, nitrous oxide (N2O) and water (H2O), have been comparatively discussed, in terms of the adsorption of oxygen sources to DEZn. The adsorption energy and natural population analysis revealed that H2O attacks Zn 4s orbital of DEZn and interaction between H2O and DEZn becomes strong. On the other hand, N2O does not strongly interacts with DEZn. It is confirmed that the reaction of DEZn and H2O is too strong to control by any external energies, while that of DEZn and N2O is well controllable. The result supports the reaction model proposed from the experiments and it is understood that N2O is a desirable source for well-controlled MOVPE.
- 2007-12-15
著者
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Fujita Shizuo
International Innovation Center Kyoto University
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Maejima Keigou
Venture Business Laboratory, Kyoto University, Kyoto 606-8501, Japan
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Kawabata Hiroshi
Venture Business Laboratory, Kyoto University, Kyoto 606-8501, Japan
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