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Materials design and development of new spinel silicon nitrides

Research Project

Project/Area Number 14350351
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., Engineering, Professor, 工学研究科, 教授 (70183861)

Co-Investigator(Kenkyū-buntansha) SEKINE Toshimori  SEKINE National Inst., C for Materials Science, Chief Scientist, 物質研究所, 主任研究員
OGASAWARA Kazuyoshi  Kwansei Gakuin Univ., Science & Engineering Lecturer, 理工学部, 講師 (10283631)
NISHITANI Shigeto  Kyoto Univ., Engineering, Assoc. Prof., 工学研究科, 助教授 (50192688)
Project Period (FY) 2002 – 2003
Project Status Completed (Fiscal Year 2003)
Budget Amount *help
¥14,400,000 (Direct Cost: ¥14,400,000)
Fiscal Year 2003: ¥5,400,000 (Direct Cost: ¥5,400,000)
Fiscal Year 2002: ¥9,000,000 (Direct Cost: ¥9,000,000)
KeywordsFirst principles calculation / ceramics / silicon nitride / electron theory / X ray absorption spectrum / high pressure / 溶質元素
Research Abstract

Cubic silicon nitride having spinel structure was discovered by a German group in 1999. We have found by first principles calculations that the cubic silicon nitride has a direct band gap of 3.5eV, which is markedly different from the indirect and wider band gaps in conventional silicon nitrides with hexagonal structures. It was also predicted to possess higher hardness than hexagonal crystals.
In the present study, we have combined efforts of first principles calculations and high pressure experiments to have new ideas for materials design and development of new spinel nitrides.
We have found good dopants for n and p-type semiconducting nitrides through systematic theoretical calculations. Shock wave syntheses experiments were systematically made to explore the high pressure phases within Si-Al-Mg-O-N systems.

Report

(3 results)
  • 2003 Annual Research Report   Final Research Report Summary
  • 2002 Annual Research Report
  • Research Products

    (29 results)

All Other

All Publications (29 results)

  • [Publications] Zhu, Y.Q: "Shock-wave resistance of WS_2 nonotubes"J.Am.Chem.Soc. 125. 1329-1333 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Tomeoka, K.: "Interplanetary dust from the explosive dispersal of hydrated asteroids by impacts."Nature. 423. 60-62 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Kobayashi, T.: "Formation of carbon onion in heavily shocked SiC"Chem.Mater.. 15[14]. 2681-2683 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Sekine, T.: "Aluminum oxynitride at pressures up to 180 GPa."J.Appl.Phys.. 94[8]. 4803-4806 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] I.Tanaka: "First principles calculations of anion-vacancies in oxides and nitrides"J.Am.Ceram.Soc.. 85. 68-74 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] I.Tanaka: "Hardness of cubic silicon nitride"J.Mater.Res.. 17. 731-733 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] I.Tanaka, K.Tatsumi, M.Nakano, H.Adachi, F.Oba: "First principles calculations of anion-vacancies in oxides and nitrides"J. Am. Ceram. Soc.. 85. 68-74 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] F.Oba, K.Tatsumi, I.Tanaka, H.Adachi: "Effective doping in cubic Si3N4 and Ge3N4 and Ge3N4: A first principles study"J. Am. Ceram. Soc.. 85. 109-112 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] I.Tanaka, F.Oba, T.Sekine, E.Ito, a.Kubo, K.Tatsumi, H.Adachi, T.Yamamoto: "Hardness of cubic silicon nitride"J. Mater. Res.. 17. 731-733 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] K.Tatsumi, I.Tanaka, H.Adachi, M.Yoshiya: "Atomic structure and bonding of β-and spinel Si6-zAlzOzN8-z by first principles calculations"Phys. Rev. B. 66. 1652101-1652108 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] K.Kimoto, K.Ishizuka, T.Mizoguchi, I.Tanaka, Y.Matsui: "The study of AI-L2.3 ELNES with resolution-enhancement software and first-principles calculation"J. Electro Microscopy. 52. 299-303 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] I.Tanaka, T.Mizoguchi, M.Matsui, S.Yoshioka, H.Adachi, T.Yamamoto, T.Okajima, M.Umesaki, W-Y.Ching, Y.Inoue, M.Mizuno, H.Araki, Y.Shirai: "Identification of ultradilute dopants in ceramics"Nature materials. 2. 541-545 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Mizoguchi, I.Tanaka, M.Kunisu, M.Yoshiya, H.Adachi, W.Y.Ching: "Theoretical prediction of ELNES/XANES and chemical bondings of AIN polytypes"Micron. 34. 249-254 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Y.Q.Zhu, T.sekine, K.S.Brigatti, S.Firth, R.Tenne, R.Rosentsveig, H.W.Kroto, D.R.M.Walton: "Shock-wave resistance of WS2 nanotubes"J. Am. Chem. Soc.. 125. 1329-1333 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] K.Tomeoka, K.Kiriyama, K.Nakamura, Y.Yamahana, T.Sekine: "Interplanetary dust from the explosive dispersal of hydrated asteroids by impacts"Nature. 423. 60-62 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Kobayashi, T.Sekine, H.He: "Formation of carbon onion from heavily shocked SiC"Chem. Mater.. 15. 2681-2683 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Sekine, X.Li, T.Kobayashi, Y.Yamashita, P.Patel, J.W.McCauley: "Almminum oxynitride at pressures up to 180 Gpa"J. Appl. Phys.. 94. 4803-4806 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Zhu, Y.Q: "Shock-wave resistance of WS_2 nonotubes"J.Am.Chem.Soc. 125. 1329-1333 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Tomeoka, K.: "Interplanetary dust from the explosive dispersal of hydrated asteroids by impacts."Nature. 423. 60-62 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Kobayashi, T.: "Formation of carbon onion in heavily shocked SiC"Chem.Mater.. 15[14]. 2681-2683 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Sekine, T.: "Aluminum oxynitride at pressures up to 180 GPa."J.Appl.Phys.. 94[8]. 4803-4806 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] I.Tanaka: "First principles calculations of anion-vacancies in oxides and nitrides"J.Am.Ceram.Soc.. 85. 68-74 (2002)

    • Related Report
      2003 Annual Research Report
  • [Publications] I.Tanaka: "Hardness of cubic silicon nitride"J.Mater.Res.. 17. 731-733 (2002)

    • Related Report
      2003 Annual Research Report
  • [Publications] I.Tanaka: "First principles calculations of anion-vacancies in oxides and nitrides"J Am. Ceram. Soc.. 85. 68-74 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] K.Tatsumi: "First principles calculations of post-spinel phases of Si3N4"J Am. Ceram. Soc. 85. 7-10 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] F.Oba: "Effective doping in cubic Si3N4 and Ge3N4 : A first principles study"J Am. Ceram. Soc.. 85. 97-100 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] M.Yoshiya: "Theoretical study on chemistry of intergranular glassy film in Si3N4-SiO2 ceramics"J. Am. Ceram. Soc.. 85. 109-112 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] W-Y.Ching: "Theoretical prediction of the structure and properties of cubic spinel nitrides"J. Am. Ceram. Soc. 85. 78-80 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] I.Tanaka: "Hardness of cubic silicon nitride"J. Mater. Res.. 17. 731-733 (2002)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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