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

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 cal...

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Autores principales: Kusaba, Akira, Li, Guanchen, Kempisty, Pawel, von Spakovsky, Michael R., Kangawa, Yoshihiro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6470845/
https://www.ncbi.nlm.nih.gov/pubmed/30909584
http://dx.doi.org/10.3390/ma12060972
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author Kusaba, Akira
Li, Guanchen
Kempisty, Pawel
von Spakovsky, Michael R.
Kangawa, Yoshihiro
author_facet Kusaba, Akira
Li, Guanchen
Kempisty, Pawel
von Spakovsky, Michael R.
Kangawa, Yoshihiro
author_sort Kusaba, Akira
collection PubMed
description 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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spelling pubmed-64708452019-04-27 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 (Basel) Article 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. MDPI 2019-03-23 /pmc/articles/PMC6470845/ /pubmed/30909584 http://dx.doi.org/10.3390/ma12060972 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Kusaba, Akira
Li, Guanchen
Kempisty, Pawel
von Spakovsky, Michael R.
Kangawa, Yoshihiro
CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title_full CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title_fullStr CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title_full_unstemmed CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title_short CH(4) Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
title_sort ch(4) adsorption probability on gan(0001) and (000−1) during metalorganic vapor phase epitaxy and its relationship to carbon contamination in the films
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6470845/
https://www.ncbi.nlm.nih.gov/pubmed/30909584
http://dx.doi.org/10.3390/ma12060972
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