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First principles calculation of optical spectra of GaAs growing surface structures

Research Project

Project/Area Number 08640410
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 InstitutionChiba University

Principal Investigator

NAKAYAMA Takashi  Chiba University, Faculty of Science, Assistant Professor, 理学部, 助教授 (70189075)

Project Period (FY) 1996 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1997: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 1996: ¥1,100,000 (Direct Cost: ¥1,100,000)
Keywordscrystal growth / surface / interface / reflectance difference spectra / reconstruction / adsorption / dangling bond / electronic structure / optical transition / GaAs表面 / 光学変遷 / 再構成構造 / ダイマー状態 / 異族半導体界面 / 原子空孔 / 局所場効果
Research Abstract

We have developed the method to calculate the reflectance difference spectra (RDS) and clarified the electronic structures of growing semiconductor surfaces and interfaces from optical viewpoints as follows.
1.Spectra origin and local field effect ; when the electronic states are localized (extended) around the surface/interface, the optical transitions between surface states (bulk states) produce peak-shaped (epsilon_2-derivative-shaped) spectra. From the various layr-thickness calculations, the local field is shown having about 50 contributions to the spectra.
2.(001) anion surfaces ; the dangling-bond states of surface anion-dimer atoms produce the large peak structures in GaAs and ZnSe surface spectra. The peak position and width respectively increase by 0.77eV/ and 0.5eV/ with decreasing the dimer distance, which well explains the recent experiments by Kobayashi et al.
3.(001) cation surfaces ; the cation atoms on the top layr largely sink into bulks to stabilize by producing sp^2/sp … More bonding, which stands up the dangling-bond states of the second-top-layr anions perpendicular to the surface. The optical transition from such states to the conduction-band states produces the characteristic peak structures, which feature is particularly remarkable for ZnSe surfaces.
4.Adsorbed (001) surfaces and interfaces ; depending on the relative energy position between GaAs bands and orbital energies of adsorbed atoms, the spectra intensity has the order of Sb>P>N for GaAs surfaces. When the thickness of hetero-epitaxialized atomic layrs is more than five, the interface spectra show the epsilon_2-derivative shape, which results explain the recent experiments of ZnSe/GaAs interfaces by Yasuda et al.
5.(110) nonpolar GaAs surfaces ; reflecting the buckling reconstructions, the optical transitions between the dangling-bond states of As and Ga and the anti-bonding states of Ga-As surface bonds produce the large peaks, which results can be used to determine the adsorption sites on growth. Less

Report

(3 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • Research Products

    (23 results)

All Other

All Publications (23 results)

  • [Publications] Takashi Nakayama: "Reflentance Difference Spectra of Semiconductor Surfaces and Interfaces" Phys.stat.sol.b202巻. 741-749 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takashi Nakayama: "Bonding and Optical Anisotropy of Vacancy-ordered Ga2Se3" J.Phys.Soc.Jpn.66巻. 3887-3892 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Misao Murayama: "Effect of the Surface-Atomic Positions on RDSSpectra of(001)-GaAs β2 Structure" Jpn.J.Appl.Phys.36巻. L268-L271 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Misao Murayama: "Symmetry-induced anisotropy of two-photon absorption spectra in zinc-blende semiconductors" Phys.Rev.B. B55巻. 9628-9636 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masato Ishikawa: "Electronic Structures of Vacancy-plane-superstructured Ga2Te3 and Ga2Se3" Phys.Low-Dimensional Structures. 11/12巻. 95-102 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masao Ishikawa: "Theoretical Investigation of Geometry and Electronic Structure of Layered In2Se3" Jpn.J.Appl.Phys.36巻. L1576-L1579 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takashi Nakayama et al: "Reflentance Difference Spectra of Semiconductor Surfaces and Interfaces" Phys.stat.sol.b202. 741-749 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takashi Nakayama et al: "Bonding and Optical Anisotropy of Vacancy-ordered Ga2Se3" J.Phys.Soc.Jpn.66. 3887-3892 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Misao Murayama et al: "Effect of the Surface-Atomic Positions on RDS Spectra of (001) -GaAs beta2 Structure" Jpn.J.Appl.Phys.36. L268-L271 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Misao Murayama et al: "Symmetry-induced anisotropy of two-photon absorption spectra in zincblende semiconductors" Phys.Rev.B55. 9628-9636 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masato Ishikawa et al: "Electronic Structures of Vacancy-plane-superstructured Ga2Te3 and Ga2Se3" Phys.Low-Dimensional Structures. 11/12. 95-102 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masato Ishikawa et al: "Theoretical Investigation of Geometry and Electronic Structure of Layred In2Se3" Jpn.J.Appl.Phys.36. L1576-L1579 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takashi Nakayama: "Reflentance Difference Spectra of Semiconductor Surfaces and Interfaces" Phys.Stat.sol.b202巻. 741-749 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Takashi Nakayama: "Bonding and Optical Anisotropy of Vacancy-ordered Ga2Se3" J.Phys.Soc.Jpn.66巻. 3887-3892 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Masao Murayama: "Symmetry-induced anisotropy of two-photon absorption spectra in zine-blende semiconductors" Phys.Rev.B. B55巻. 9628-9636 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Masato Ishikawa: "Electronic Structures of Vacancy-Plane-superstructured Ga2Te3 and Ga2Se3" Phys.Low-Dimensional Structures. 11/12巻. 95-102 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Masato Ishikawa: "Theoretical Investigation of Geometry and Electronic Structure of Layered In2Se3" Jpn.J.Appl.Phys.36巻. L1576-L1579 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] M.Murayama,T.Nakayama: "Effect of the Surface-Atomic Positions on RDS Spectra of (001)-GaAs β2 Structure" Jpn.J.Appl.Phys.36巻No.3A(印刷中). (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Nakayama,M,Murayama: "Reflectance Anisotropy Calculations of Buried Heterovalent Semiconductor Interfaces" Proc.23rd Int. Conf. Phys. of Semiconductors. 2巻. 939-942 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Nakayama: "Electronic and Optical Properties of Alkali Halides KBr/RbCl Superlattices" J. Phys. Soc. Jpn.65巻No.7. 2188-2193 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M,Murayama,T.Nakayama: "Material-Independent Anisotropy of Two-Photon Absorption Spectra in Semiconductors" Proc. 23rd Int. Conf. Phys. of Semiconductors. 1巻. 281-284 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nishizawa,T.Nakayama: "Magneto-Optic Anisotropy Effect on Photonic Band Structure" J. Phys.Soc. Jpn.66巻No.3(印刷中). (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] M,Murayama,T.Nakayama: "Symmetry-induced Anisotropy of Two-Photon Absorption Spectra in Zinc-blende Semiconductors" Phys. Rev.B55巻No.16(印刷中). (1997)

    • Related Report
      1996 Annual Research Report

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Published: 1996-04-01   Modified: 2020-05-15  

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