CH 4 Adsorption Probability on GaN(0001) and (000-1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films

Akira Kusaba, Guanchen Li, Pawel Kempisty, Michael R. von Spakovsky, Yoshihiro Kangawa

研究成果: ジャーナルへの寄稿記事

抄録

Suppression of carbon contamination in GaN films grown using metalorganic vapor phase epitaxy (MOVPE) is a crucial issue in its application to high power and high frequency electronic devices. To know how to reduce the C concentration in the films, a sequential analysis based on first principles calculations is performed. Thus, surface reconstruction and the adsorption of the CH 4 produced by the decomposition of the Ga source, Ga(CH 3 ) 3 , and its incorporation into the GaN sub-surface layers are investigated. In this sequential analysis, the dataset of the adsorption probability of CH 4 on reconstructed surfaces is indispensable, as is the energy of the C impurity in the GaN sub-surface layers. The C adsorption probability is obtained based on steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic ensemble-based, non-phenomenological framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium. This framework is suitable especially when one studies the adsorption behavior of an impurity molecule because the conventional approach, the chemical potential control method, cannot be applied to a quantitative analysis for such a system. The proposed sequential model successfully explains the influence of the growth orientation, GaN(0001) and (000-1), on the incorporation of C into the film. This model can contribute to the suppression of the C contamination in GaN MOVPE.

元の言語英語
記事番号972
ジャーナルMaterials
16
発行部数6
DOI
出版物ステータス出版済み - 3 1 2019

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Metallorganic vapor phase epitaxy
Contamination
Carbon
Adsorption
Thermodynamics
Entropy
Impurities
Surface reconstruction
Chemical potential
Decomposition
Molecules
Chemical analysis

All Science Journal Classification (ASJC) codes

  • Materials Science(all)

これを引用

CH 4 Adsorption Probability on GaN(0001) and (000-1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films . / Kusaba, Akira; Li, Guanchen; Kempisty, Pawel; von Spakovsky, Michael R.; Kangawa, Yoshihiro.

:: Materials, 巻 16, 番号 6, 972, 01.03.2019.

研究成果: ジャーナルへの寄稿記事

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abstract = "Suppression of carbon contamination in GaN films grown using metalorganic vapor phase epitaxy (MOVPE) is a crucial issue in its application to high power and high frequency electronic devices. To know how to reduce the C concentration in the films, a sequential analysis based on first principles calculations is performed. Thus, surface reconstruction and the adsorption of the CH 4 produced by the decomposition of the Ga source, Ga(CH 3 ) 3 , and its incorporation into the GaN sub-surface layers are investigated. In this sequential analysis, the dataset of the adsorption probability of CH 4 on reconstructed surfaces is indispensable, as is the energy of the C impurity in the GaN sub-surface layers. The C adsorption probability is obtained based on steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic ensemble-based, non-phenomenological framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium. This framework is suitable especially when one studies the adsorption behavior of an impurity molecule because the conventional approach, the chemical potential control method, cannot be applied to a quantitative analysis for such a system. The proposed sequential model successfully explains the influence of the growth orientation, GaN(0001) and (000-1), on the incorporation of C into the film. This model can contribute to the suppression of the C contamination in GaN MOVPE.",
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