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Grain boundary bondings in ceramics by spatially resolved EELS

Research Project

Project/Area Number 10450243
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Inorganic materials/Physical properties
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

TANAKA Isao  Kyoto Univ., Energy Science, Assoc. Prof., エネルギー科学研究科, 助教授 (70183861)

Co-Investigator(Kenkyū-buntansha) OGASAWARA Kazuyoshi  Kyoto Univ., Engineering, Research Assoc., 工学研究科, 助手 (10283631)
NISHITANI Shigeto  Kyoto Univ., Engineering, Research Assoc., 工学研究科, 助手 (50192688)
ADACHI Hirohiko  Kyoto Univ., Engineering, Professor, 工学研究科, 教授 (60029105)
NAKAHIRA Atsushi  Kyoto Inst. of Tech., Engineering, Assoc. Prof., 工芸学部, 助教授 (90172387)
Project Period (FY) 1998 – 1999
Project Status Completed (Fiscal Year 1999)
Budget Amount *help
¥11,500,000 (Direct Cost: ¥11,500,000)
Fiscal Year 1999: ¥3,900,000 (Direct Cost: ¥3,900,000)
Fiscal Year 1998: ¥7,600,000 (Direct Cost: ¥7,600,000)
KeywordsEELS / ELNES / electron microscopy / MgO / SiィイD23ィエD2N4 / DV-Xalpha method / lattice statics / DV-Xα法 / MgO / シリコン不純物
Research Abstract

Impurities adsorbed at the grain boundary play central roles in determining macroscopic properties that can not be expected in single crystal materials.
The presence of impurities has been assumed in many kinds of ceramics.
However, quantitative information on these impurities as well as their bonding states has not been clarified before the recent progress of high resolution electron microscopy coupled with sub-nano meter resolution electron energy loss spectroscopy(EELS).
In the present study, we investigated chemical states of Si in MgO as an example. O-K edge, Si-LィイD223ィエD2 edge, Mg-LィイD223ィエD2 edge ELNES (electron energy loss near edge structure) were measured and compared with theoretical results obtained by our calculations using first principles molecular orbital method.
Model clusters composed of approximately 100 atoms were used for the calculation.
As a result, presence of six-fold coordinated Si atoms in the MgO matrix can be recognized.

Report

(3 results)
  • 1999 Annual Research Report   Final Research Report Summary
  • 1998 Annual Research Report
  • Research Products

    (22 results)

All Other

All Publications (22 results)

  • [Publications] Adachi,H.: "Interpretation of Si-L23 edge electron energy loss near edge structures(ELNES) from intergranular glossy film of Si3N4"J. Am. Chem. Soc.. 82. 3231-36 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Tanaka,I.: "Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Sidoped MgO"J. Phys. Cond. Matter.. 11. 5661-5670 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Tanaka,I.: "First principles calculation of ELNES/NEXAFS of BN polytypes using model"Phys. Rev. B. 60. 4944-51 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Tanaka,I.: "Effect of oxidation on chemical bonding around 3d transition metal inpurities in ZnO"J. Jpn. Appl. Phys.. 38. 4804-4808 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Tanaka,I.: "First principles calculation of chemical shifts in ELNES/NEXAFS of titanium oxides"J. Phys. Cond. Matter.. 11. 3217-3228 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] H. Adachi: "Interpretation of Si-L2, 3 edge electron energy loss near edge structures (ELNES) from intergranular glassy film of Si3N4 ceramics."J. Am Ceram. Soc.. 82. 3231-3236 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] I. Tanaka: "Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Si-doped MgO."J. Phys. Cond. Matter.. 11. 5661-5670 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] I. Tanaka: "First principles calculations of ELNES/NEXAFS of BN polytypes using model clusters."Phys. Rev. B. 60. 4944-4951 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] I. Tanaka: "Effect of oxidation on chemical bonding around 3d transition metal impurities in ZnO."J. Jpn. Appl. Phys.. 38. 3569-3575 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] I. Tanaka: "First principles calculation of chemical shifts in ELNES/NEXAFS of titanium oxides."J. Phys. Cond. Matter.. 11. 3217-3228 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] I. Tanaka: "Core-hole effects on theoretical ELNES/NEXAFS of MgO."Phys. Rev. B.. 61. 2180-2187 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M.Yoshiya: "Interpretation of Si-L_<23> edge electron loss near edge structures (ELNES) from intergranular glossy film of Si_3N_4"J. Am. Ceram. Soc.. 82. 3231-3236 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Mizoguchi: "Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Si-doped MgO"J. Phys. Cond. Matter.. 11. 5661-5670 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] I.Tanaka: "First principles calculations of ELNES/NEXAFS of BN polytypes using model clusters"Phys. Rev. B. 60. 4944-4951 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] F.Oba: "Effect of oxidation on chemical bonding around 3d transition metal inpurities in ZnO"J. Jpn. Apple. Phys.. 38. 4804-4808 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Yoshiya: "First principles caculation of chemical shifts in ELNES/NEXAFS of titanium oxides"J. Phys. Cond. Matter.. 11. 3217-3228 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Nakayasu: "Calculation of Grain-Boundary Bonding in Rare-Earth-Doped b-Si_3N_4" J.Am.Ceram.Soc.81. 565-570 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Mizuno: "Chemical Bonding of the Fe/TiX(X=C,N,or O) Interfaces" Acta.Mater.46. 1637-1645 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] K.Kaneko: "Characterization of randam grain boundaries of Zr doped α-Al_2O_3" Phil.Mag.A. 77. 1255-1272 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] K.Kaneko: "Six-fold coordinated Si at grain boundaries of sintered α-Al_2O_3" Appl.Phys.Lett. 72. 191-193 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] H.Kanda: "Cluster calculation of oxygen K electron-energy-loss near-edge structure of NiO" Phys.Rev.B. 58. 9693-9696 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] I.Tanaka: "Importance of metal-metal bondings at the interface of MgO and 3d-transition metals" Acta Mater. 6511-6520 (1998)

    • Related Report
      1998 Annual Research Report

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Published: 1998-04-01   Modified: 2016-04-21  

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