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Study on the growth mechanism of single-element quasicrystalline films

Research Project

Project/Area Number 18KK0390
Research Category

Fund for the Promotion of Joint International Research (Fostering Joint International Research (A))

Allocation TypeMulti-year Fund
Research Field Thin film/Surface and interfacial physical properties
Research InstitutionKagoshima University

Principal Investigator

Nozawa Kazuki  鹿児島大学, 理工学域理学系, 准教授 (00448763)

Project Period (FY) 2018 – 2020
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥13,650,000 (Direct Cost: ¥10,500,000、Indirect Cost: ¥3,150,000)
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
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.

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。

Report

(4 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (17 results)

All 2021 2020 2019

All Int'l Joint Research (1 results) Journal Article (2 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 2 results) Presentation (14 results) (of which Int'l Joint Research: 5 results,  Invited: 1 results)

  • [Int'l Joint Research] University of Liverpool(英国)2019

    • Related Report
      2020 Annual Research Report
  • [Journal Article] Accuracy of Cluster Model Calculations for Quasicrystal Surface2021

    • Author(s)
      Masanori Sato, Takanobu Hiroto, Yoshitaka Matsushita, Kazuki Nozawa
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 62 Issue: 3 Pages: 350-355

    • DOI

      10.2320/matertrans.MT-MB2020015

    • NAID

      130007990791

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2021-03-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomic structure of the (111) surface of the antiferromagnetic 1/1 Au-Al-Tb approximant2020

    • Author(s)
      Coates Sam、Nozawa Kazuki、Fukami Masahiro、Inagaki Kazuki、Shimoda Masahiko、McGrath Ronan、Sharma Hem Raj、Tamura Ryuji
    • Journal Title

      Physical Review B

      Volume: 102 Issue: 23

    • DOI

      10.1103/physrevb.102.235419

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 非周期表面におけるクラスタモデルを用いた吸着エネルギーの計算精度2020

    • Author(s)
      佐藤正紀, 野澤和生
    • Organizer
      日本物理学会2020年秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 第一原理計算による Ni3 Al(210)表面の Al 選択酸化に関する研究2020

    • Author(s)
      山口孔大朗, 野澤和生
    • Organizer
      日本金属学会2020年秋期大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] PdZn(111)表面の電子構造における吸着酸素の影響2020

    • Author(s)
      大谷友輔, 石井靖, 野澤和生
    • Organizer
      第126回触媒討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 酸素が吸着したPdZn(111)表面の第一原理計算2020

    • Author(s)
      大谷友輔, 石井靖, 野澤和生
    • Organizer
      第126回日本物理学会九州支部例会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 準結晶表面のバンド計算におけるクラスタモデルの計算精度2020

    • Author(s)
      佐藤壮紀, 廣戸孝信, 松下能孝, 野澤和生
    • Organizer
      第126回日本物理学会九州支部例会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Ptを微量添加したAl13Fe4の置換サイトに関する第一原理計算2020

    • Author(s)
      湊駿文, 石井靖, 野澤和生
    • Organizer
      第126回日本物理学会九州支部例会
    • Related Report
      2020 Annual Research Report
  • [Presentation] First-principles study of single-element quasiperiodic ultra-thin film of Bi2020

    • Author(s)
      野澤和生
    • Organizer
      第24回準結晶研究会
    • Related Report
      2019 Research-status Report
  • [Presentation] Ag-In-Yb 準結晶表面上に蒸着した Bi が作る三日月型構造の起源2020

    • Author(s)
      野澤和生,Hem Raj Sharma, Ronan McGrath
    • Organizer
      日本物理学会第75回年次大会
    • Related Report
      2019 Research-status Report
  • [Presentation] PdZn(111)表面への酸素の吸着2020

    • Author(s)
      大谷友輔,石井靖,野澤和生
    • Organizer
      第125回触媒討論会
    • Related Report
      2019 Research-status Report
  • [Presentation] First-principles study of growth of single element quasi-periodic ultra-thin films2019

    • Author(s)
      野澤和生
    • Organizer
      EMN Amsterdam Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Single-Element Quasiperiodic Thin Films Grown On The Five-Fold Surface Of Ternary Icosahedral Quasicrystals2019

    • Author(s)
      野澤和生
    • Organizer
      International Cenference on Composites/Nano Engineering
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Theoretical study of single-element quasi-periodic thin films formed on Ag-In-Yb quasicrystal2019

    • Author(s)
      野澤和生
    • Organizer
      32nd European Crystallographic Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] First-principles study of oxygen adsorption structure on Ni3Al(210) surface2019

    • Author(s)
      山口孔大朗,野澤和生
    • Organizer
      32nd European Crystallographic Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Ab-initio study of oxygen adsorption on PdZn(111) surface2019

    • Author(s)
      大谷友輔,山口孔大朗,野澤和生
    • Organizer
      32nd European Crystallographic Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research

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Published: 2019-02-06   Modified: 2022-01-27  

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