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Investigation of bulk and surface melting from microscopic view point

Research Project

Project/Area Number 09640598
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

YOKOYAMA Toshihiko  The University of Tokyo, Graduate School of Science, Associate Professor, 大学院・理学系研究科, 助教授 (20200917)

Co-Investigator(Kenkyū-buntansha) OHTA Toshiaki  The University of Tokyo, Graduate School of Science, Professor, 大学院・理学系研究科, 教授 (80011675)
Project Period (FY) 1997 – 1998
Project Status Completed (Fiscal Year 1998)
Budget Amount *help
¥3,200,000 (Direct Cost: ¥3,200,000)
Fiscal Year 1998: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 1997: ¥2,400,000 (Direct Cost: ¥2,400,000)
Keywordsmelting / surface melting / XAFS (X-ray-absorption fine structure) / path integral / surface vibration / EXAFS / エピタキシ- / 薄膜 / 非調和振動 / embedded atom法
Research Abstract

Although melting transition is commonly observable in our dairy lives, the understanding of melting is still an open question in the microscopic point of view. Since anharmonic vibration plays an essential role, the EXAFS (extended x-ray-absorption fine structure) spectroscopy is useful to investigate the melting phenomenon from the view point of local structure and anharmonic vibration. In this work, we have first of all examined thermal properties of bulk materials at low temperature using EXAFS by estimating interatomic potentials with the quantum statistical approach. Here the path-integral effective-potential (PIEP) method was employed. In order to apply the PIEP method to metals, the embedded atom method was formulated and combined. In experiments, we have developed new ultrahigh vacuum chmaber for surface EXAPS measurements from low to high temperatures. We have investigated anisotropic anharmonic surface vibrations of ultrathin epitaxial flims such as KBr on KCl and Ni and Cu on graphite by means of temperature-dependent EXAFS measurements.

Report

(3 results)
  • 1998 Annual Research Report   Final Research Report Summary
  • 1997 Annual Research Report
  • Research Products

    (16 results)

All Other

All Publications (16 results)

  • [Publications] 横山 利彦: "Path Integral effective potential method applied to extended x-ray-absorption fine structure cumulants" Physical Review B. 57. 3423-3432 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] 木口学 : 横山利彦 他: "Heteroepitaxial growth of Kcl on a cleaved(001)face of KBr studied by extended x-ray-absorption fire structure" Surface Science. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] 横山 利彦: "Path integral effective potential theory for EXAFS cumulants compared to the second-order perturbation" J.Synchrotron Radiation. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] 横山 利彦: "Effective potential method applied to EXAFS Debye-Waller factors of molecules and solids" Proc.Int.Conf.Path Integral 98. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] T.Yokoyama: "Path integral effective potential method applied to extended x-ray-absorption fine structure cumulants" Phys.Rev.B57. 3423-3432 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] M.Kiguchi, T.Yokoyama, T.Tsuduki, S.Terada, Y.Kitajima and T.Ohta: "Heteroepitaxial growth of KCl on a cleaved (001) face of KBr studied by extended x-ray-absorption fine structure" Surf.Sci.(in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] T.Yokoyama: "Path-integral effective-potential theory for EXAFS cumulants compared to the second-order perturbation" J.Synchrotron Rad.(in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] T.Yokoyama: "Effective-potential method applied to the EXAFS Debye-Waller factors of molecules and solids" Proc.6th Int.Conf.Path Integral. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] 横山利彦: "Path integral effective putential method applied to extended x-ray-absorption fine structuve cumulants" Physical Review B. 57. 3423-3432 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 木口学.横山利彦 他: "Heteroepitaxial growth of Kcl on a cleaved (001) face of KBr studied by extended x-ray-absorption fine structure" Surface Science. (印刷中).

    • Related Report
      1998 Annual Research Report
  • [Publications] 横山利彦: "Path-integral effective potential theary for EXAFS cumulants compared to the second-order perturbation" J.Synchrotron Radiation. (印刷中).

    • Related Report
      1998 Annual Research Report
  • [Publications] 横山利彦: "Effective potential method applied to EXAFS Debye-Waller factors of molecules and solids" Proc.Int.Cont.Path.Integral. (印刷中).

    • Related Report
      1998 Annual Research Report
  • [Publications] Toshihiko Yokoyama: "Pathintegral Effective-potential method applied to EXAFS cumulants" Phys-Rev.B. 57. 3423-3432 (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Hamamatsu, T.Yokoyama 他: "Surface structure of cesium adsorption on si(001)2X1 surface" Phys-Rev.B. 57(印刷中). (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] A.Imanishi, T.Yokoyama 他: "Structural and electronic properties of adsorbed thicphene on Ca(111)studied by S・K-edge X-ray absorption spectroscopy" Bull.Chem.Soc.Jpn. (印刷中). (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] 横山 利彦: "X線定在波法" Radicisotopes. 47. 166-171 (1998)

    • Related Report
      1997 Annual Research Report

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Published: 1997-04-01   Modified: 2016-04-21  

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