The Institute of Scientific and Industrial Research, Osaka University


LAST UPDATE 2017/02/26

  • 研究者氏名
    Researcher Name

    籾田浩義 Hiroyoshi MOMIDA
    助教 Assistant Professor
  • 所属
    Professional Affiliation

    The Institute of Scientific and Industrial Research, Osaka University

    産業科学ナノテクノロジーセンター ナノ機能予測研究分野
    Department of Theoretical Nanotechnology, Nanoscience and Nanotechnology Center
  • 研究キーワード
    Research Keywords

    Computational materials science
    First-principles calculations
    Solid state physics
    Exploration of novel materials
Research Subject
Theoretical analyses and predictions of novel material properties by first-principles calculations

研究の背景 Background


To develop better electronic devices, higher device performances have been achieved by downsizing its structure. However, typical size of the device structures reaches to nano-meter scales, and we need to understand material properties at atomic and electronic levels for developing next-generation devices. In addition, novel materials with interesting properties have been found and attracted much interests, and applications of them to future electronic and spin devices based on new principles are expected.

研究の目標 Outcome


We try to find new materials with novel functional properties and to clarify electronic mechanisms of the material properties on the basis of the quantum mechanics and non-empirical computational methods using first-principles electronic structure calculations. Our major goal is theoretical explorations of useful and new materials that have superior material performances, and to get microscopic insights on novel materials properties for future electron and spin device materials.

研究図Research Figure

Fig.1. Schematic picture and calculated voltage-capacity curve of solid Na-S secondary battery. Fig.2. Atomic and electronic structures of vacancy and H interstitials at Σ3(112) grain boundary of α-Fe under tensile strain, and defect influences on tensile strength. Fig.3. Crystal structure and calculated piezoelectric constant of wrutzite AlN, and effects of strain on atomic structures.

文献 / Publications

J. Phys. Soc. Jpn. 83, 124713 (2014). Phys. Rev. B 90, 014430 (2014). Phys. Rev. B 88, 144107 (2013). J. Phys. Soc. Jpn. 82, 065004 (2013). Jpn. J. Appl. Phys. 52, 04CD11 (2013). J. Opt. Soc. Am. B 29, 2410 (2012). Appl. Phys. Lett. 98, 042102 (2011).