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Local stress/strain analysis in the vicinity of-assemlbfled nanostructure interface

Research Project

Project/Area Number 23710107
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Nanostructural science
Research InstitutionThe University of Tokyo

Principal Investigator

SHIIHARA Yoshinori  東京大学, 生産技術研究所, 助教 (90466855)

Project Period (FY) 2011 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2011: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords自己組織化 / 界面応力 / 第一原理計算 / 半導体超格子
Research Abstract

First-principles local stress calculation has been applied to reveal stress distribution in the vicinity of a self-assembled nanostructure interface such as GaAs/InAs. The weighted Bader integration scheme based on the Yu-Trinkle algorithm is found to be so effective that stress density is accurately integrated to the local stress. By applying the developed local stress calculation to semiconductor interfaces, it is found that interface stress is localized, in the range of a single atom, in the vicinity of the interface.

Report

(3 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Research-status Report
  • Research Products

    (13 results)

All 2013 2012 2011 Other

All Journal Article (2 results) (of which Peer Reviewed: 2 results) Presentation (9 results) Remarks (2 results)

  • [Journal Article] Origin of surface stress on late transition metal surfaces: Ab initio local stress and tight-binding model2013

    • Author(s)
      Yoshinori Shiihara
    • Journal Title

      Physical Review B

      Volume: 87 Issue: 12 Pages: 125430-125436

    • DOI

      10.1103/physrevb.87.125430

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Study of Symmetrical Tilt Grain Boundaries in bcc Fe: Structural Units, Magnetic Moments, Interfacial Bonding, Local Energy and Local Stress2013

    • Author(s)
      S. Kr. Bhattacharya, S. Tanaka, Y. Shiihara, and M. Kohyama
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 25 Issue: 13 Pages: 135004-135018

    • DOI

      10.1088/0953-8984/25/13/135004

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Presentation] 第一原理局所エネルギーでみる積層欠陥の広がり2013

    • Author(s)
      椎原良典
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理局所エネルギーでみる積層欠陥の'広がり'2013

    • Author(s)
      椎原良典
    • Organizer
      日本物理学会 第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] 貴金属fcc積層欠陥近傍における局所エネルギー分布解析2012

    • Author(s)
      椎原良典
    • Organizer
      日本材料学会第17回分子動力学シンポジウム
    • Place of Presentation
      東京大学生産技術研究所
    • Year and Date
      2012-06-05
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理計算による遷移金属表面の剛性評価2012

    • Author(s)
      椎原良典
    • Organizer
      日本機械学会第25回計算力学講演会
    • Place of Presentation
      神戸ポートアイランド南地区
    • Related Report
      2012 Final Research Report
  • [Presentation] Ab initio local stress analysis on GaAs/AlAs interface2012

    • Author(s)
      Yoshinori Shiihara
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      パシフィコ横浜
    • Related Report
      2012 Annual Research Report 2012 Final Research Report
  • [Presentation] 第一原理計算による遷移金属表面の剛性評価2012

    • Author(s)
      椎原良典
    • Organizer
      日本機械学会 第25回計算力学講演会
    • Place of Presentation
      神戸ポートアイランド南地区
    • Related Report
      2012 Annual Research Report
  • [Presentation] 4d遷移金属表面における局所応力評価2011

    • Author(s)
      椎原良典
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜
    • Year and Date
      2011-12-19
    • Related Report
      2012 Final Research Report
  • [Presentation] 貴金属 fcc 積層欠陥近傍における局所エネルギー分布解析

    • Author(s)
      椎原良典
    • Organizer
      日本材料学会第17回分子動力学シンポジウム
    • Place of Presentation
      東京大学生産技術研究所
    • Related Report
      2012 Annual Research Report
  • [Presentation] 4d遷移金属表面における局所応力評価

    • Author(s)
      椎原良典,香山正憲,石橋章司
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜
    • Related Report
      2011 Research-status Report
  • [Remarks]

    • URL

      http://www.young.iis.u-tokyo.ac.jp/index.php?Shiihara_KAKEN2011_2012

    • Related Report
      2012 Final Research Report
  • [Remarks] 半導体界面近傍における原子スケール応力評価法の開発

    • URL

      http://www.young.iis.u-tokyo.ac.jp/index.php?Shiihara_KAKEN2011_2012

    • Related Report
      2012 Annual Research Report

URL: 

Published: 2011-08-05   Modified: 2019-07-29  

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