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Reaction Pathway of Surface-Catalyzed Ammonia Decomposition and Nitrogen Incorporation in Epitaxial Growth of Gallium Nitride
http://hdl.handle.net/2237/00029255
http://hdl.handle.net/2237/0002925527f06312-e52c-42f2-b90b-06c3f6e75622
名前 / ファイル | ライセンス | アクション |
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v1004 (4.3 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2019-02-07 | |||||
タイトル | ||||||
タイトル | Reaction Pathway of Surface-Catalyzed Ammonia Decomposition and Nitrogen Incorporation in Epitaxial Growth of Gallium Nitride | |||||
言語 | en | |||||
著者 |
Bui, Kieu My
× Bui, Kieu My× Iwata, Jun-Ichi× Kangawa, Yoshihiro× Shiraishi, Kenji× Shigeta, Yasuteru× Oshiyama, Atsushi |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | “This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Physical Chemistry C], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-maiBc6cYXferN5fuuvSI].” | |||||
抄録 | ||||||
内容記述 | We report density functional calculations that clarify atom-scale mechanisms of vapor-phase epitaxial growth of GaN with gas sources of trimethylgallium and ammonia. We identify various stable adsorption structures of a Ga atom and NHx molecules (x = 0–3) on GaN(0001) surfaces and find that NH2 and NH units spontaneously intervene in Ga–Ga surface bonds on Ga-rich GaN(0001) surface. We then explore the reaction in which NH3 on the surface is decomposed and becomes an N-incorporated structure, −Ga–(NH)–Ga–, on the Ga-rich GaN(0001) and find that the reaction occurs with the energy barrier of 0.63 eV. Further exploration reveals that a reaction of H2 desorption occurs with the energy barrier of 2 eV, leaving the N atom incorporated in the Ga–N network. This barrier can be overcome when we consider the chemical potential of an H2 molecule in the gas phase at the growth temperature. This N incorporation on GaN is a new growth mechanism catalyzed by the growing surface. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
内容記述 | ||||||
内容記述 | ファイル公開:2019-11-01 | |||||
言語 | ja | |||||
内容記述タイプ | Other | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | ACS Publications | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1021/acs.jpcc.8b05682 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 1932-7447 | |||||
ISSN(Online) | ||||||
収録物識別子タイプ | EISSN | |||||
収録物識別子 | 1932-7455 | |||||
書誌情報 |
en : The Journal of Physical Chemistry C 巻 122, 号 43, p. 24665-24671, 発行日 2018-11-01 |
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著者版フラグ | ||||||
値 | author |