Study on the growth mechanism of single-element quasicrystalline films
| Project/Area Number |
18KK0390
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| Research Category |
Fund for the Promotion of Joint International Research (Fostering Joint International Research (A))
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| Allocation Type | Multi-year Fund |
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| Research Field |
Thin film/Surface and interfacial physical properties
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| Research Institution | Kagoshima University |
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Principal Investigator |
Nozawa Kazuki 鹿児島大学, 理工学域理学系, 准教授 (00448763)
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| Project Period (FY) |
2018 – 2020
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥13,650,000 (Direct Cost: ¥10,500,000、Indirect Cost: ¥3,150,000)
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| Keywords | 準結晶 / 表面 / 第一原理計算 / 結晶成長 / 薄膜 / 単元素準結晶 / エピタキシャル成長 / 吸着 / 表面・薄膜 |
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| Outline of Final Research Achievements |
This study was conducted to elucidate the growth mechanism of single-element quasi-periodic ultra-thin films formed on the five-fold surface of the Ag-In-Yb quasicrystal. The presence of the unidentified adsorbed layers was discussed based on scanning tunneling microscopy images calculated from the stable adsorption structure of Bi determined by the first-principles calculations. The accuracy of the cluster model calculation was investigated in detail. It has been confirmed by the density functional theory calculation that the tetrahedral cluster, which is a part of the structural building block of the quasicrystalline substrate, is stable even at the surface layer. The stable surface structure of the (111) surface of the Au-Al-Tb approximant was investigated.
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| Academic Significance and Societal Importance of the Research Achievements |
準結晶表面は並進対称性がないため、通常のバンド計算で扱う際には何らかの近似が必要になるが、これまでに準結晶表面を扱った先行研究はほとんどなく、計算方法やその誤差に関する確立された知見はなかった。本研究では、最もシンプルな近似であるクラスタモデルについて、クラスタサイズから見込まれる誤差を詳細に調べた。この成果は今後の同種の研究にとって重要な参照データとなるものである。Au-Al-Tb近似結晶表面において表面再構成が生じることを見出した。これはこの系の準結晶関連物質において初めての表面再構成の報告であり、準結晶表面の構造を解釈するうえでも重要な知見となった。
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Report
(4 results)
Research Products
(17 results)
