Theoretical Characterization of Heterointerfaces in Thin Films

2012 Fiscal Year Final Research Report

• Project/Area Number: 22560680
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Inorganic materials/Physical properties
• Research Institution: Japan Fine Ceramics Center
• Principal Investigator: FISHER Craig 一般財団法人ファインセラミックスセンター, ナノ構造研究所, 上級研究員 (80524925)
• Project Period (FY): 2010 – 2012
• Keywords: イオン拡散 / 欠陥構造 / 電子状態

Research Abstract

Advanced theoretical methods were used to examine the important effect of heterointerfaces on materials used in energy devices. Focus was directed towards interfaces between two oxides as few examples of such studies exist in the literature. Interfaces including grain boundaries, surfaces and heterointerfaces in a number of thin film systems were examined. The effects of strain at the interface were shown to be particularly important. In addition to providing insights into materials structures and properties, this study has provided an important basis for developing efficient methods for systematically studying heterointerfaces of complex oxides.

Research Products

• [Journal Article] Domain Formation in Anatase TiO_2 Thin Films on LaAlO_3 Substrates (2012)
  • Author(s): Shijian Zheng, Craig A. J. Fisher, Takeharu Kato, Yuki Nagao, Hiromichi Ohta, Yuichi Ikuhara
  • Journal Title: Appl. Phys. Lett. Volume: 101 Pages: 191602-1-5
  • Peer Reviewed
• [Journal Article] Computer Simulation of Coherent BaZrO_3/MgO Interfaces (2011)
  • Author(s): Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake
  • Journal Title: J. Ceram. Soc. Jpn. Volume: 119 Pages: 861-866
  • Peer Reviewed
• [Presentation] Atomic Level Investigations of Interfaces of Lithium Ion Battery Cathode Materials (2013)
  • Author(s): C. A. J. Fisher, S. Zheng, R. Huang, T. Ogawa, A. Kuwabara, H. Moriwake, M. S. Islam, Y. Ikuhara
  • Organizer: Munich Battery Discussions : Lifetime and Ageing of Battery Materials and Systems
  • Place of Presentation: ドイツ, ガーヒング
  • Year and Date: 2013-03-14
• [Presentation] Modeling of Oxide Interfaces (2012)
  • Author(s): C. A. J. Fisher, A. Kuwabara, H. Moriwake, H. Oki, Y. Ikuhara
  • Organizer: 36th International Conference and Expo on Advanced Ceramics and Composites (ICACC2012)
  • Place of Presentation: 米国, デイトナビーチ
  • Year and Date: 2012-01-24
• [Presentation] 原子レベルによるBaZrO_3/MgO異相界面の構造・特性 (2011)
  • Author(s): クレイグ・フィッシャー, 桑原彰秀, 森分博紀
  • Organizer: 第21回日本MRS学術シンポジウム
  • Place of Presentation: 横浜市
  • Year and Date: 2011-12-19
• [Book] "Energy Materials: Lithium Ion Batteries", in Computational Approaches to Energy Materials, 1st ed., A. Walsh, A. A. Sokol and C. R. A. Catlow (eds) (2013)
  • Author(s): M. Saiful Islam and Craig A. J. Fisher
  • Total Pages: 109-129
  • Publisher: John Wiley & Sons, Ltd.
• [Remarks] Symposium D-5 "Advanced Computational and Materials Science", International Union of Materials Research Societies-International Conference on Electronic Materials (IUMRS-ICEM2012), 横浜市, 2012年
• [Remarks] セッションH「計算機シミュレーションによる格子欠陥やナノ構造の解明 : 新規材料創製を目指して」,第21回日本MRS学術シンポジウム,横浜市,2011年.
• [Remarks] セッションI「計算機シミュレーションによる格子欠陥やナノ構造の解明 : 新規材料創製を目指して」第20回日本MRS学術シンポジウム,横浜市,2010年.