First-Principles Characterization of Atomic Structure of Al_2O_3(0001)/Cu Nano-Hetero Interface

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著者

    • Tanaka Shingo TANAKA Shingo
    • Interface Science Research Group, Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST)
    • Yang Rui YANG Rui
    • Interface Science Research Group, Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST)

抄録

Atomic structures characterization of Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Cu nano-hetero interfaces has been performed by the first-principles pseudopotential method and in cooperation with HRTEM observations. The physical properties of the interfaces depend strongly on the interface stoichiometry. Bonding nature of the O-rich (O-terminated) interface is explained as strong covalent and ionic interactions, whereas that of the stoichiometric (Al-terminated) interface is weak covalent and electrostatic image interactions. The O-terminated interface has quite larger adhesive energy than that of the stoichiometric one. Recent HRTEM observations of the Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Cu interface have confirmed the O-terminated interface. However, the observed <i>incoherent</i> interface is not the same as an ideal <i>coherent</i> interface obtained by the first-principles. We explain the relationship between the present <i>coherent</i> interface and the practical <i>incoherent</i> one.

収録刊行物

  • Materials transactions

    Materials transactions 45(7), 1973-1977, 2004-07-20

    公益社団法人 日本金属学会

参考文献:  23件中 1-23件 を表示

被引用文献:  4件中 1-4件 を表示

各種コード

  • NII論文ID(NAID)
    10013336130
  • NII書誌ID(NCID)
    AA1151294X
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    13459678
  • NDL 記事登録ID
    7015248
  • NDL 雑誌分類
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL 請求記号
    Z53-J286
  • データ提供元
    CJP書誌  CJP引用  NDL  J-STAGE 
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