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Principal InvestigatorKatsuyuki Matsunaga (Professor,
Nagoya University)

“CRYSTAL DEFECT CORE” PROJECT HAS LAUNCHED!

Since occurrence of the human civilization, epoch-making innovations in fields of environmental conservation, energy development and information technology have been realized by emergence of novel and advanced materials of metals, ceramics, and semiconductors. In this regard, it is not too much to say that materials science has played an essential role for them in history of mankind. In the current complicated, diversified and globalized modern societies, however, timely development of unprecedented materials is indispensable and highly desired. Therefore, it is necessary to conduct materials development based on a new concept in materials science.

In this project, we firmly conduct fundamental and scientific researches on the structure property relationships in crystal defects of materials at the nanometer scale. This is because crystal defects such as grain boundaries, interfaces and dislocations are found to become physical origins of distinct properties in recent advanced materials. Moreover, scientific attempts are now being done in advanced-material development by designing and controlling physical properties of crystal defects at the nanometer scale. If we know how to maximize potentials of physical properties of crystal defects, such knowledge should provide us with breakthroughs in materials science. Then, it should be an indispensable step to systematically reveal nature of specific electronic and atomic structures at crystal defects, especially at their core regions.

Here we refer to specific electronic and atomic structures localized at crystal defects as “crystal defect cores”, and try to establish the new materials science. For this purpose, researchers specializing in theoretical calculations, nanoscale characterization and advanced materials processing conduct collaborative studies. Establishment of new scientific principles based on the concept of “crystal defect core” will make it possible to explore novel materials with excellent properties due to crystal defects.

RESEARCH

PURPOSE OF THE RESEARCH PROJECT

In this project, specific electronic and atomic structures of grain boundaries, interfaces and dislocations that can realize novel and distinct materials properties are defined and referred to as “crystal defect cores”. Researchers specializing in theoretical calculations, nanoscale characterization and advanced materials processing conduct collaborative studies, aiming at creating a new area in materials science named “crystal defect core”. Through establishing new scientific principles based on the concepts of “crystal defect core”, we will further explore novel properties and materials due to crystal defects.

Conventional studies have focused on average bulk structures and macroscopic properties of materials in general, and thus understanding of crystal defects is often limited to their static and averaged atomic pictures. Recent technological progresses in methods and approaches of nanoscale characterization and computational science are so remarkable that we have been enabled to acquire quantitative information on nanoscale structures of crystal defects. These advanced approaches and methods have facilitated our more in-depth understanding about the crucial roles that the crystal defects play for realizing various materials properties. For future materials design and development, it is essential to reveal relationships between nanoscale structures of crystal defects and materials properties. Thus, in this project, we aim at discovering or creating new materials functions and new exploratory materials based on “crystal defect cores”, including those emerging under external stimulus including thermal, electric, magnetic, optical or stress fields.

CONTENT OF THE RESEARCH PROJECT

This research project has three major research items as follows:

  • A01: Modeling and design of crystal defect cores
  • A02: Nanoscale characterization of crystal defect cores
  • A03: Materials development based on crystal defect cores

In research items A01 and A02, we focus on basic science of crystal defects. We do collaborative and systematic researches of grain boundaries, interfaces and dislocations so as to establish new scientific principles based on in-depth understanding of a structure-property relationship of the crystal defects, by means of theoretical calculations, materials informatics and nanoscale characterization at the world-class highest level. Researches in the Research item A03 of materials processing come from diverse materials fields, and try to develop novel materials and their properties by controlling crystal defects at the nanometer scale. Throughout the research area, it is expected for our intensive and extensive collaborations to prove that “crystal defect core” is a universal concept to realize novel materials development in the next generation.

EXPECTED RESEARCH ACHIEVEMENTS

  • To establish new scientific principles to make it possible to explore novel and distinct materials properties originating from crystal defects
  • To discover or create new materials with remarkable properties in diverse fields of materials science
  • To facilitate considerable technical development of theoretical calculations, nanoscale characterization, and materials processing

EXPECTED SCIENTIFIC SIGNIFICANCE

Our concept of “crystal defect core” will provide a scientific impact when we succeed in developing materials and their properties through precisely controlling crystal defect cores. This is because crystal defects have been thought to play a negative role for materials properties. This research area can find out a new strategy for controlling crystal defect cores so that they play positive roles for better properties, paving a new avenue for future materials developments.

MEMBER

EXECUTIVE COMMITTEE

Katsuyuki Matsunaga (Nagoya University) Teruyasu Mizoguchi (The University of Tokyo)
Naoya Shibata (The University of Tokyo) Masayuki Abe (Osaka University)
Hitoshi Yusa (National Institute for Materials Science) Hiromichi Ota (Hokkaido University)
Satoshi Kitaoka (Japan Fine Ceramics Center) Masaaki Hirayama (Tokyo Institute of Technology)
Masato Yoshiya (Osaka University) Atsutomo Nakamura (Nagoya University)
Hidehiro Yoshida (The University of Tokyo)

EVALUATION COMMITTEE MEMBERS

Taketo Sakuma (The University of Tokyo, Emeritus Professor)
Hirotarou Mori (Osaka University, Invited Professor)
Seizo Morita (Osaka University, Emeritus Professor)
Masanori Kohyama (National Institute of Advanced Industrial Science and Technology, Guest Researcher)

RESEARCH AREA ADVISORS

Isao Tanaka (Kyoto University, Professor)
Yuichi Ikuhara (The University of Tokyo, Professor)

EXTERNAL EXAMINER

Yuya Oaki (Keio University, Associate Professor)
Shinya Furukawa (Hokkaido University, Associate Professor)

RESEARCH ITEMS AND GROUPS

A01Modeling and Design of Crystal Defect Cores

A01-aModeling of Crystal Defect Cores
Group
Leader
  • Katsuyuki Matsunaga (Professor, Graduate School of Engineering, Nagoya University)
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Member
  • Atsutomo Nakamura (Associate Professor, Graduate School of Engineering, Nagoya University)
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  • Masato Yoshiya (Professor, Graduate School of Engineering, Osaka University)
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A01-bComputational Design with Materials Informatics
Group
Leader
  • Teruyasu Mizoguchi (Professor, Institute of Industrial Science, The University of Tokyo)
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Member
  • Atsuto Seko (Associate Professor, Graduate School of Engineering, Kyoto University)
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  • Kazuaki Toyoura (Associate Professor, Graduate School of Engineering, Kyoto University)
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A02Nanoscale Characterization of Crystal Defect Cores

A02-cNanoscale Interface Characterization
Group
Leader
  • Naoya Shibata (Professor, Graduate School of Engineering, The University of Tokyo)
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Member
  • Ryo Ishikawa (Assistant Professor, Graduate School of Engineering, The University of Tokyo)
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  • Eita Tochigi (Assistant Professor, Graduate School of Engineering, The University of Tokyo)
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  • Feng Bin (Assistant Professor, Graduate School of Engineering, The University of Tokyo)
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  • Takahisa Yamamoto (Professor, Graduate School of Engineering, Nagoya University)
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A02-dNanoscale Surface Characterization
Group
Leader
  • Masayuki Abe (Professor, Graduate School of Engineering Science, Osaka University)j
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Member
  • Eiichi Inami (Associate Professor, School of Systems Engineering, Kochi University of Technology)
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  • Hayato Yamashita (Assistant Professor, Graduate School of Engineering Science , Osaka University)
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  • Daiki Katsube (Assistant Professor, Nagaoka University of Technology)
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A03Materials Development Based on Crystal Defect Cores

A03-eFunctional Materials with High Temperature/Pressure Processing
Group
Leader
  • Hitoshi Yusa (Chief Researcher, Research Center for Functional Materials, National Institute for Materials Science)
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Member
  • Masashi Hasegawa (Professor, Graduate School of Engineering, Nagoya University)
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  • Fumio Kawamura (Senior Researcher, Research Center for Functional Materials, National Institute for Materials Science)
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  • Masashi Miyakawa (Senior Researcher, Research Center for Functional Materials, National Institute for Materials Science)
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A03-fThermoelectric Materials with Thin Film Processing
Group
Leader
  • Hiromichi Ota (Professor, Research Institute for Electronic Science, Hokkaido University)
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Member
  • Ichiro Terasaki (Professor, Department of Physics, Nagoya University)
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  • Keiji Saito (Professor, Department of Physics, Keio University)
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A03-gHigh-Temperature Structural Ceramics
Group
Leader
  • Satoshi Kitaoka (Senior Chief Engineer, Materials R&D Lab, Japan Fine Ceramics Center)
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Member
  • Atsushi Nakahira (Professor, Materials Science and Engineering, Osaka Prefecture University)
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  • Hidehiro Yoshida (Professor, Graduate School of Engineering, The University of Tokyo)
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A03-hSolid State Ionic Materials
Group
Leader
  • Masaaki Hirayama (Professor, School of Materials and Chemical Technology, Tokyo Institute of Technology)
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Member
  • Kota Suzuki (Assistant Professor, School of Materials and Chemical Technology, Tokyo Institute of Technology)
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  • Daisuke Mori (Associate Professor, Department of Chemistry, Mie University)
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ACHIEVEMENT

  • 2020.05.04   
    M. Timpel, M. V. Nardi, B. Wegner, G. Ligorio, L. Pasquali, M. Pätzel, S. Hecht, H. Ohta, and N. Koch, “Oligothiophene-based Phosphonates for Interfacial Engineering of Ultraflat Transparent Conductive Oxides”, Adv. Mater. Interfaces 1902114 (2020). (May 4, 2020) (doi:10.1002/admi.201902114)

  • 2020.04.08   
    Dou-dou Liang*, Yu-qiao Zhang, Hai Jun Cho and Hiromichi Ohta*, “Electric field thermopower modulation analyses of the operation mechanism of transparent amorphous SnO2 thin-film transistor”, Appl. Phys. Lett. 116, 143503 (2020). (April 8, 2020) (DOI: 10.1063/5.0003153)

  • 2020.03.25 
    R. Okazaki, K. Kobayashi, R. Kumai, H. Nakao, Y. Murakami, F. Nakamura, H. Taniguchi, and I. Terasaki, Current-induced giant lattice deformation in the Mott insulator Ca2RuO4, J. Phys. Soc. Jpn., 89 (2010) 044710. https://doi.org/10.7566/JPSJ.89.044710

  • 2020.03.24 N.A. Gaida, T. Sasaki, Z. Liu, K. Niwa, M. Hirozawa, T. Ohsuna, M. Hasegawa, Nanowire crystals of tantalum nitride grown in ammonium halide fluxes at high pressures, Appl. Phys. Lett., (2020) 116, 123102. (published 24 March 2020) DOI: https://doi.org/10.1063/1.5140856

  • 2020.03.17  
    Hai Jun Cho,* Koichi Sato, Mian Wei, Gowoon Kim, and Hiromichi Ohta*, “Effect of lattice distortions on the electron and thermal transport properties of transparent oxide semiconductor Ba1-xSrxSnO3 solid solution films”, J. Appl. Phys. 127, 115701 (2020). (March 17, 2020) (DOI: 10.1063/5.0002172) Editor’s pick

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