Elementary Processes of Thin Film Growth Quantum Chemical Approach

Yoshiko S. HIRAOKA

doi:10.1380/jsssj.19.201

薄膜成長の素過程

量子化学計算からのアプローチ

平岡佳子

著者情報

ジャーナルフリー

1998 年 19 巻 3 号 p. 201-207

DOI https://doi.org/10.1380/jsssj.19.201

詳細

発行日: 1998/03/10 受付日: 1997/06/06 J-STAGE公開日: 2009/08/07 受理日: 1997/06/06 早期公開日: - 改訂日: -
訂正情報
訂正日: 2009/08/07 訂正理由: - 訂正箇所: 論文抄録訂正内容: Wrong : A microscopic understanding of epitaxial growth is important in order to obtain atomically controlled heterostructures of semiconductors. A quantum chemical approach is useful in the investigation of elementary chemical reaction processes. We have analyzed gas-phase reactions in the metalorganic chemical vapor deposition (MOCVD) of compound semiconductors, using ab initio molecular orbital calculations. In this review, the reactions of group-III source molecules and hydrogen (both atomic and molecular) are discussed. The calculated results indicate that hydrogen plays an important role in controlling the quality of the epitaxial layers. It is well known that semiconductor surfaces exhibit many kinds of reconstruction depending on the growth conditions. The electronic state and the detailed structure of the reconstructed surfaces should be taken into account in order to understand the surface reaction mechanisms. A surface As dimer which appears in the molecular beam epitaxy (MBE) of GaAs (001) is analyzed based on a cluster model. The first quantum chemical study of GaAs (001)-(2×4)β₁ reconstruction is also described.
Right : A microscopic understanding of epitaxial growth is important in order to obtain atomically controlled heterostructures of semiconductors. A quantum chemical approach is useful in the investigation of elementary chemical reaction processes. We have analyzed gas-phase reactions in the metalorganic chemical vapor deposition (MOCVD) of compound semiconductors, using ab initio molecular orbital calculations. In this review, the reactions of group-III source molecules and hydrogen (both atomic and molecular) are discussed. The calculated results indicate that hydrogen plays an important role in controlling the quality of the epitaxial layers. It is well known that semiconductor surfaces exhibit many kinds of reconstruction depending on the growth conditions. The electronic state and the detailed structure of the reconstructed surfaces should be taken into account in order to understand the surface reaction mechanisms. A surface As dimer which appears in the molecular beam epitaxy (MBE) of GaAs (001) is analyzed based on a cluster model. The first quantum chemical study of GaAs (001)-(2×4)β₁ reconstruction is also described.

抄録

A microscopic understanding of epitaxial growth is important in order to obtain atomically controlled heterostructures of semiconductors. A quantum chemical approach is useful in the investigation of elementary chemical reaction processes. We have analyzed gas-phase reactions in the metalorganic chemical vapor deposition (MOCVD) of compound semiconductors, using ab initio molecular orbital calculations. In this review, the reactions of group-III source molecules and hydrogen (both atomic and molecular) are discussed. The calculated results indicate that hydrogen plays an important role in controlling the quality of the epitaxial layers. It is well known that semiconductor surfaces exhibit many kinds of reconstruction depending on the growth conditions. The electronic state and the detailed structure of the reconstructed surfaces should be taken into account in order to understand the surface reaction mechanisms. A surface As dimer which appears in the molecular beam epitaxy (MBE) of GaAs (001) is analyzed based on a cluster model. The first quantum chemical study of GaAs (001)-(2×4)β₁ reconstruction is also described.

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訂正情報