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2020 年度 実績報告書

Exploration of the anharmonicity of phonons modes in molecular crystals with temperature-dependent and high-field terahertz spectroscopy and ab initio simulation

研究課題

研究課題/領域番号 18K05034
研究機関神戸大学

研究代表者

張 峰  神戸大学, 分子フォトサイエンス研究センター, 助手 (10773046)

研究期間 (年度) 2018-04-01 – 2021-03-31
キーワードterahertz spectroscpy / quasiharmonicity / thermal expansion / pure anharmonicity / IR intensity / intermolecular vibration / intramolecular vibration
研究実績の概要

We have performed the quasiharmonic (QH) calculations for the posposal molecular crystals. The QH model induces consistently red shifts of THz peaks with the increase of unit-cell size. We thus deduce that the observed anormalous temperature dependencies of the THz peaks in L-xylose and lactose monohydrate should originate from the pure anharmonicity. Using air-plasma-generation and air-biased-coherent-detection, we have increaed the power of THz radiation by a couple of times compared the regular photo-conductive antenna setup.We have quantitatively analyzed the origins of IR intensities of THz peaks and revealed the important roles played by the marginal intramolecular vibrational components.

  • 研究成果

    (6件)

すべて 2020

すべて 雑誌論文 (1件) (うち国際共著 1件) 学会発表 (5件) (うち国際学会 5件、 招待講演 2件)

  • [雑誌論文] Interpretation of THz intensities of molecular crystals: the role of mixing between intermolecular and intramolecular vibrations2020

    • 著者名/発表者名
      Zhang Feng、Wang Hong-Wei、Tominaga Keisuke、Hayashi Michitoshi、Tani Masahiko
    • 雑誌名

      Proc. SPIE 11559, Infrared, Millimeter-Wave, and Terahertz Technologies VII

      巻: 115590A ページ: 1~4

    • DOI

      10.1117/12.2575351

    • 国際共著
  • [学会発表] Interpretation of THz Intensities of Molecular Crystals: the Role of Mixing between Intermolecular and Intramolecular Vibrations2020

    • 著者名/発表者名
      Feng Zhang, Hong-Wei Wang, Keisuke Tominaga, Michitoshi Hayashi, Masahiko Tani
    • 学会等名
      45th International conference on infrarted, millimeter and terahertz waves
    • 国際学会
  • [学会発表] Determination of the Fine Structure of a Halide Perovskite using High-resolution THz Spectroscopy and Solid-state Density Functional Theory2020

    • 著者名/発表者名
      Feng Zhang, Izuru Karimata, Hong-Wei Wang, Takashi Tachikawa, Keisuke Tominaga, Michitoshi Hayashi, Tetsuo Sasaki
    • 学会等名
      45th International conference on infrarted, millimeter and terahertz waves
    • 国際学会
  • [学会発表] Interpretation of THz Intensities of Molecular Crystals: the Role of Mixing between Intermolecular and Intramolecular Vibrations2020

    • 著者名/発表者名
      F. Zhang, H-W. Wang, K. Tominaga, M. Hayashi, Masahiko Tani
    • 学会等名
      SPIE Photonics Asia
    • 国際学会 / 招待講演
  • [学会発表] Determination of the Fine Structure of a Halide Perovskite using THz Spectroscopy2020

    • 著者名/発表者名
      Feng Zhang, Izuru Karimata, Hong-Wei Wang, Takashi Tachikawa, Keisuke Tominaga, Michitoshi Hayashi, Tetsuo Sasaki
    • 学会等名
      Asia Spectroscopy Conference 2020
    • 国際学会
  • [学会発表] Towards Establishing THz Vibrational Spectroscopy in Molecular Crystalline Systems2020

    • 著者名/発表者名
      Feng Zhang, Keisuke Tominaga, Michitoshi Hayashi, Tetsuo Sasaki, Masahiko Tani
    • 学会等名
      International Conference on Chemical and Environmental Sciences
    • 国際学会 / 招待講演

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公開日: 2021-12-27  

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