Ni(111)表面吸着水素の原子配列と振動状態  [in Japanese] Vibrational States and Atomic Arrangement of Hydrogen Adsorbed Ni(111) Surface  [in Japanese]

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Author(s)

Abstract

The recent results of electron energy loss spectroscopy (EELS) reveal vibrational states totally different in character for Ni (111) 1× 1-H and Ni (111) 2 × 2-2H surface. Those results indicate that the vibrationally excited states of hydrogen atoms on Ni (111) 2 × 2-2H can be delocalized. To clarify the nature of the hydrogen vibration on the Ni (111) surface, the adiabatic potential surfaces for a hydrogen atom on Ni (111) 1 × 1-1H, Ni (111) 2 × 2-1H, Ni (111) 2 × 2-2H and Ni (111) 2 × 2-4H are calculated, respectively, by the first principles calculation based on the density functional theory (DFT). The obtained vibrational states are consistent with experimental results. The Monte Carlo simulation with the lattice gas model and the tight binding model expects the formation of a surface vibrational band of excited states on this system for small coverage of Hydrogen.

Journal

  • Shinku

    Shinku 45(3), 258-261, 2002-03-20

    The Vacuum Society of Japan

References:  4

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    NOBUHARA K.

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    Cited by (1)

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    KASAI H.

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    Cited by (1)

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    OKUYAMA H.

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    Cited by (1)

Codes

  • NII Article ID (NAID)
    10008203097
  • NII NACSIS-CAT ID (NCID)
    AN00119871
  • Text Lang
    JPN
  • Article Type
    SHO
  • ISSN
    05598516
  • NDL Article ID
    6144629
  • NDL Source Classification
    ZN15(科学技術--機械工学・工業--流体機械)
  • NDL Call No.
    Z16-474
  • Data Source
    CJP  NDL  J-STAGE 
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