Ab initio Study of Atomic Hydrogen on ZnO Surfaces

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著者

    • Siao Yu-Jin Siao Yu-Jin
    • Graduate Institute of Precision Engineering, National Chung Hsing University, Taichung, Taiwan 402, Republic of China
    • Liu Po-Liang Liu Po-Liang
    • Graduate Institute of Precision Engineering, National Chung Hsing University, Taichung, Taiwan 402, Republic of China
    • Wu Yen-Ting Wu Yen-Ting
    • Graduate Institute of Precision Engineering, National Chung Hsing University, Taichung, Taiwan 402, Republic of China

抄録

The first-principles density functional theory is used to study the interaction of atomic hydrogen with ZnO surfaces. We find that atomic-hydrogen environments significantly reduce ZnO surface formation energies with hydrogen adsorption on the surface. The negative surface energy of the O-terminated ZnO(0001) surface is demonstrated in the O- and H-rich limits. The roughening and damage of ZnO surfaces are discussed in the context of the fluctuation of the surface formation energy.

収録刊行物

  • Applied physics express

    Applied physics express 4(12), 125601-125601-3, 2011-12-25

    The Japan Society of Applied Physics

参考文献:  15件中 1-15件 を表示

  • <no title>

    SANO M.

    J. Appl. Phys. 95, 5527, 2004

    被引用文献1件

  • <no title>

    BRUNO G.

    Adv. Mater. 21, 1700, 2009

    被引用文献1件

  • <no title>

    OUGAZZADEN A.

    J. Cryst. Growth 310, 944, 2008

    被引用文献1件

  • <no title>

    ROGERS D. J.

    Appl. Phys. Lett. 91, 071120, 2007

    被引用文献1件

  • <no title>

    KRESSE G.

    Phys. Rev. B 54, 11169, 1996

    被引用文献1件

  • <no title>

    KRESSE G.

    Comput. Mater. Sci. 6, 15, 1996

    被引用文献1件

  • <no title>

    KRESSE G.

    J. Phys. : Condens. Matter 6, 8245, 1994

    被引用文献1件

  • <no title>

    KRESSE G.

    Phys. Rev. B 59, 1758, 1999

    被引用文献1件

  • <no title>

    PERDEW J. P.

    Phys. Rev. B 46, 6671, 1992

    被引用文献1件

  • <no title>

    LIU P. L.

    Scr. Mater. 64, 483, 2011

    被引用文献1件

  • <no title>

    DEAN J. A.

    Lange's Handbook of Chemistry 6.123, 1999

    被引用文献1件

  • <no title>

    WANG Z. L.

    Phys. Rev. Lett. 91, 185502, 2003

    被引用文献1件

  • <no title>

    LIU P.-L.

    MRS Proc., 2011 1327, 2011

    被引用文献1件

  • <no title>

    MEYER B

    Phys. Rev. B 69, 045416, 2004

    被引用文献1件

  • <no title>

    KRESSE G.

    Phys. Rev. B 68, 245409, 2003

    被引用文献4件

各種コード

  • NII論文ID(NAID)
    10030154248
  • NII書誌ID(NCID)
    AA12295133
  • 本文言語コード
    EN
  • 資料種別
    SHO
  • ISSN
    18820778
  • NDL 記事登録ID
    023385743
  • NDL 請求記号
    Z78-A526
  • データ提供元
    CJP書誌  NDL  JSAP 
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