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

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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.

収録刊行物

  • 真空

    真空 45(3), 258-261, 2002-03-20

    The Vacuum Society of Japan

参考文献:  4件中 1-4件 を表示

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    被引用文献1件

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    被引用文献1件

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    被引用文献1件

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    CAMP open software project, Certre for Atomic-scale Materials Physics

    被引用文献1件

各種コード

  • NII論文ID(NAID)
    10008203097
  • NII書誌ID(NCID)
    AN00119871
  • 本文言語コード
    JPN
  • 資料種別
    SHO
  • ISSN
    05598516
  • NDL 記事登録ID
    6144629
  • NDL 雑誌分類
    ZN15(科学技術--機械工学・工業--流体機械)
  • NDL 請求記号
    Z16-474
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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