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Inner displacement and directional bonding in transition metal disilicides

Research Project

Project/Area Number 09650716
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical properties of metals
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

TANAKA Katsushi  Dept.Mater.Sci.& Eng.KYOTO UNIVERSITY Research associates, 工学研究科, 助手 (30236575)

Project Period (FY) 1997 – 1998
Project Status Completed (Fiscal Year 1998)
Budget Amount *help
¥3,400,000 (Direct Cost: ¥3,400,000)
Fiscal Year 1998: ¥1,100,000 (Direct Cost: ¥1,100,000)
Fiscal Year 1997: ¥2,300,000 (Direct Cost: ¥2,300,000)
KeywordsTransition metal disilicide / Elastic constants / Structural analysis / Co-valent bonding / Maximum entropy method / Electron density distribution / シリコン原子位置 / 方向性結合
Research Abstract

For the first step of this project, we have measured single crystal elastic constants of transition metal disilicides with the C11_b, C40 and C54 structures. The elastic constants have been analyzed by the valence force field approach where the inter-atomic interaction is classified into two terms ; bond-stretching and bond-bending. Relative values of the coefficients of these two terms for each transition metal disilicide indicate the directionality of the inter-atomic bonding. The directionality of inter-atomic interaction in the materials with the C11_b structure is the strongest one, and that in the materials with the C40 structure are classified into two groups. The strength of TiSi_2 is located at the middle position between the two groups of the C40 structure.
For the next step, we have performed the X-ray analysis to refine the crystallographic parameters of these compounds. The analysis indicates that the position of silicon atoms in the materials are slightly displaced from the position compiled in the data book. The displacement is associated with the anisotropic inter-atomic interactions of Si-Si and Si-TM.This is clearly demonstrated from the electron distribution maps which are constructed from the measured intensities of the diffraction by the maximum entropy method.

Report

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

    (6 results)

All Other

All Publications (6 results)

  • [Publications] K.Tanaka et al.: "Temperature dependence of single-crystal elastic constants of Mo (Si, Al)_2" Intermetallics. 6. 607-611 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] K.Tanaka et al.: "Directional atomic bonds in MoSi_2 and other transition-metall disilicides with the C11_b, C40 and C54 structures." Mater.Sci.Eng.A261. 158-164 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] K.Tanaka, K.Nawata, H.Inui, M.Yamaguchi and M.Koiwa: "Temperature dependence of Single-crystal elastic constants of Mo(Si, Al)_2" Intermetallics. Vol.6. 607-611 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] K.Tanaka, H.Inui, M.Yamaguchi and M.Koiwa: "Directional atomic bonds in MoSi_2 and other transition-metal disilicides with the C11_<b'> C40 and C54 structures" Mater.Sci.Eng.Vol.A261. 158-164 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] T.Tanaka et al.: "Temperature dependence of single-crystal elastic constants of MD(Si,Al)_2" Intermetallics. 6・7-8. 607-611 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] K.TANAKA et al: "Single-crystal elastic constants of MoSi_2 with the C11_b structure" Mater.Sci.Eng.A239-240. 188-194 (1997)

    • Related Report
      1997 Annual Research Report

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

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