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1992 Fiscal Year Final Research Report Summary

Hydrogen Passivation of Deep Levels in Amorphous Semiconductors

Research Project

Project/Area Number 03640291
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 固体物性
Research InstitutionTOHOKU UNIVERSITY

Principal Investigator

YOSHIDA Hiroshi  東北大学, 理学部, 助手 (30133929)

Project Period (FY) 1991 – 1992
KeywordsAmorphous Silicon / Deep Levels / Hydrogen Impurity / 第一原理分子動力学
Research Abstract

We have studied the role of hydrogen and passivation mechanisms of deep impurity levels in amorphous silicon by hydrogen using ab-initio molecular dynamics.
We found
(1)deep levels of silicon dangling in the mid-band gap is terminated by hydrogen,
(2)Si-H-Si three centered bonds are formed and soften the amorphous structure,
(3)three coordinated silicon dangling bond which act as deep impurity levels exits in amorphous silicon,and
(4)five coordinated silicon bonds(floating)exit in amorphous silicon.
Based upon the calculated results,we have discussed the mechanism of the hydrogen passivation and the roles in amorphous silicon.

  • Research Products

    (12 results)

All Other

All Publications (12 results)

  • [Publications] T.SASAKI: "Electronic Structure and Stability of an Impurity Atom of Li in ZnSe." Proceedings of 20-th International Conference on the Physics of Semiconductors World Scientific Pub.561-565 (1991)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.SASAKI: "Electronic Structure Calculation for Materials Design." Proceedings of International Conference on Computer Application to Materials Science and Engineering,CAMSE90,Elsevier Science Pub.169-177 (1991)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.TERAKURA: "Hyperfine Interractions for Impurities in Semiconductors." Suppliment of Prog.Ther.Phys.101. 79-104 (1991)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.KATAYAMA-YOSHIDA,: "Theory of the Self-compensation in p-type ZnSe" J.of Crys.Growth. 119. 625-632 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] C.KANETA: "Atomic Configuration,Stabilizing Mechanisms,and Impurity Vibrations of Carbon-oxygen Complexes in Crystalline Silicon," phys.Rev.B46. B46. 13179-13184 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.KATAYAMA-YOSHIDA: "Electronic Structure of Spontaneous Superlattice Structure in Compound Semiconductors." Oyobutsuri(in Japanese). 61. 809-813 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T. Sasaki, T. Oguchi H. Katayama-Yoshida: "Electronic Structure and Stability of an Impurity Atom of Li in ZnSe." Proceedings of 20-th International Conference on the Physics of Semiconductors World Scientific Pub.561-565 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] T. Sasaki, T. Oguchi H. Katayama-Yoshida: "Electronic Structure Calculation for Materials Design." Proceedings of International Conference on Computer Application to Materials Science and Engineering, CAMSE90, Elsevier Science Pub.169-177 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K. Terakura N. Hamada, H. Katayama-Yoshida, T. Hoshino and T. Asada: "Hyperfine Interactions for Impurities in Semiconductors." Supplement of Prog. Ther. Phys.Vol101. 79-104 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H. Katayama-Yoshida: "Theory of the Self-compensation in p-type ZnSe" J. of Crys. Growth. Vol119. 625-632 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] C.Kaneta, T. Sasaki, H. Katayama-Yoshida: "Atomic Configuration,Stabilizing Mechanisms,and Impurity Vibrations of Carbon-oxygen Complexes in Crystalline Silicon" Phys. Rev. B46. 13179-13184 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H. Katayama-Yoshida: "Electronic Structure of Spontaneous Superlattice Structure in Compound Semiconductors." Oyobutsuri(in Japanese). Vol 61. 809-813 (1992)

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

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Published: 1994-03-24  

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