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1996 Fiscal Year Final Research Report Summary

Theoretical Study of Hydrogen Effect in Diamond Film Growth

Research Project

Project/Area Number 06640430
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 固体物性Ⅰ(光物性・半導体・誘電体)
Research InstitutionUniversity of Tsukuba

Principal Investigator

OKAZAKI Makoto  University of Tsukuba, Institute of Materials Science, Professor, 物質工学系, 教授 (80010792)

Co-Investigator(Kenkyū-buntansha) FUJITA Mitsutaka  University of Tsukuba, Institute of Materials Science, Associate Professor, 物質工学系, 助教授 (40192728)
Project Period (FY) 1994 – 1996
KeywordsDiamond Growth / H-Terminated Surface / First principle Calculation
Research Abstract

To clarify the reason why the growth of diamond film is achieved under the room temperature and atmospheric pressure by CVD method, and to study the mechanism of crystal growth for new meterials from the view point of computational physics, these are the aim of the research.
We focused our attention to the necessity of hydrogen atmosphere for the diamond growth. We optimized the system, in which the adatom is moved from above to the center of the dimer on hydrogen-terminated (100) diamond surface, in a quasi-static way. The results shows that the terminating hydrogen atom removes from the surface, as the adatom adsorbs, and terminates the dangling bonds of the adatom. This process shows the surfactant effect of the carbon atom. These results are contrasted with the case of silicon surface. We interpreted the results from the facts that the carbon atom prefers sp^2 bonding whereas the silicon atom prefers sp^3 bonding, and the relation of electron affinities of carbon and silicon atoms relative to hydrogen atom, e_c>e_H>e_<Si>.

  • Research Products

    (16 results)

All Other

All Publications (16 results)

  • [Publications] T.Ogitsu et al.: "Theoretical Study of Bond Exchange Mechanism during CVD Growth of Diamond" Advances in New Diamond Sci.and Tech.473-476 (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Ogitsu et al.: "Ab-initio Study of the Elementary process of Epitaxial Diamond Growth" Proc.22nd Intern.Conf.on Phys. Semicon.537-540 (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Ogitsu et al.: "Role of Hydrogen in-C-and Si (001) Homoepitaxy" Phys.Rev.Lett.75. 4226-4229 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 藤田光孝、岡崎誠 他: "水素を仲介としたダイヤモンドの結晶成長素過程に関する第一原理的研究" 表面科学. 15. 33-36 (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] M.Fujita et al.: "Peculiar Localized State at Zigzag Graphite Edge" J.Phys.Soc.Jpn.65. 1920-1923 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Nakada et al.: "Edge states in Graphite Ribbon : Nanometer Size Effect and Edge Shape Dependence" Phys.Rev.B. 54. 17954-17961 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 岡崎誠: "物質の量子力学" 岩波書店, 252 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 岡崎誠: "物理に役立つ複素数" 丸善, 128 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Ogitsu et al.: "Theoretical Study of Bond Exchange Mechanism during CVD Growth of Diamond" Adavances in New Diamond Sci.and Tech.473-476 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] T.Ogitsu et al.: "Ab-initio Study of the Elementary Process of Epitaxial Diamond Growth" Proc.22nd Intern.Conf.on Phys.Semicon.537-540 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] T.Ogitsu et al.: "Role of Hydrogen in C and Si (001) Homoepitaxy" Phys.Rev.Lett.75. 4226-4229 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Fujita et al.: "An Ab Initio Study of the Elementary Process of Hydrogen-Mediated Growth of Diamond" Surface Science. 15. 33-36 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Fujita et al.: "Peculiar Localized State at Zigzag Graphite Edge" J.Phys.Soc.Jpn.65. 1920-1923 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Nakada et al.: "Edge states in Graphite Ribbon : Nanometer Size Effect and Edge Shape Dependence" Phys.Rev.B. 54. 17954-17961 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Okazaki: Quantum Mechanics of Matter. Iwanami, 252 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Okazaki: Complex Numbers for Physics. Maruzen, 128 (1995)

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 1999-03-09  

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