First-Principles Characterization of Atomic Structure of Al2O3(0001)/Cu Nano-Hetero Interface

• Tanaka Shingo

  Interface Science Research Group, Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST)

• Yang Rui

  Interface Science Research Group, Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST)

• Kohyama Masanori

  Interface Science Research Group, Special Division for Green Life Technology, National Institute of Advanced Industrial Science and Technology (AIST)

• Sasaki Takeo

  School of Engineering, The University of Tokyo

• Matsunaga Katsuyuki

  Institute of Engineering Innovation, The University of Tokyo

• Ikuhara Yuichi

  Institute of Engineering Innovation, The University of Tokyo

書誌事項

タイトル別名

• First-Principles Characterization of Atomic Structure of Al<SUB>2</SUB>O<SUB>3</SUB>(0001)/Cu Nano-Hetero Interface

抄録

Atomic structures characterization of Al₂O₃(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 Al₂O₃(0001)/Cu interface have confirmed the O-terminated interface. However, the observed incoherent interface is not the same as an ideal coherent interface obtained by the first-principles. We explain the relationship between the present coherent interface and the practical incoherent one.

収録刊行物

• MATERIALS TRANSACTIONS

  MATERIALS TRANSACTIONS 45 (7), 1973-1977, 2004

  公益社団法人 日本金属学会

キーワード

• first-principles pseudopotential method
• atomic structure
• interface
• Al<SUB>2</SUB>O<SUB>3</SUB>
• copper
• electron microscopy observation

詳細情報

• CRID: 1390282679228125824
• NII論文ID: 10013336130
• NII論文ID: 30018850256
• NII書誌ID: AA1151294X
• DOI: 10.2320/matertrans.45.1973
• COI: 1:CAS:528:DC%2BD2cXmvFaqu7s%3D
• ISSN: 13475320
• ISSN: 13459678
• ISSN: http://id.crossref.org/issn/09161821
• NDL書誌ID: 7015248
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7015248
• Web Site: https://www.jstage.jst.go.jp/article/matertrans/45/7/45_7_1973/_pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可