Computational Chemistry Study on Crystal Growth of InGaN/GaN
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概要
- 論文の詳細を見る
We carried out density functional theory (DFT) calculations and tight-binding quantum chemical molecular dynamics simulations to investigate the crystal growth of InGaN layers on a GaN(0001) surface under periodic boundary conditions. The periodic DFT calculations indicate that the formation of the uniform InGaN thin films is difficult, which leads to the segregation of In atoms in the InGaN thin films. The tight-binding quantum chemical molecular dynamics simulations suggest that the Ga polarity surface of the GaN(0001) is preferable for the construction of the smooth GaN thin films than the N polarity surface of the GaN(0001). Moreover, the formation of the smooth InN thin films was found to be difficult on the GaN(0001) surface.
- Publication Office, Japanese Journal of Applied Physics, Faculty of Science, University of Tokyoの論文
- 2001-04-30
著者
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Kubo Momoji
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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Miyamoto Akira
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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Takami Seiichi
Department Of Chemical System Engineering Faculty Of Engineering The University Of Tokyo
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Inaba Yusaku
Department Of Materials Chemistry Graduate School Of Engineering Tohoku University
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Onozu Takayuki
Department Of Materials Chemistry Graduate School Of Engineering Tohoku University
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Imamura Akira
Department Of Electronic Engineering Graduate School Of Engineering The University Of Tokyo
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Onozu Takayuki
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Kubo Momoji
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Inaba Yusaku
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Imamura Akira
Department of Chemistry, Faculty of Science, Hiroshima University
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