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Theoretical and Computational Molecular Science Minamitani Group

Location: Myoudaiji, South Laboratory
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Quantum many-body interaction, Density functional theory, Quantum field theory, electron-phonon interaction, magnetism

Theoretical studies on novel physical properties arising from many-body interaction

Quantum many-body interaction is a source of novel physical properties in the condensed matters. In our group, we develop theoretical methods by combining quantum field theory and density functional theory, and carry out collaborative research with experimental groups. As specific targets, we focus on magnetism in nanostructure and energy dissipation. 

For magnetism in nanostructure, we are interested in the Kondo effect and spin-orbit interaction. The Kondo effect arises from the interaction between the localized spin and conduction electrons, which forms a characteristic many-body state so called the Kondo singlet state. The spin-orbit interaction originating from non-relativistic effect constrains the direction of magnetic moment to specific direction. We investigate the possibility of novel physical phenomena induced by these interactions in the nanostructure and molecules on surfaces.  

For energy dissipation, we focus on the effect of electron-phonon interaction. The electron-phonon interaction is one of the most fundamental interactions in the condensed matter physics, and the quantitative evaluation in realistic materials is highly demanding. We adopt the ab-initio calculation to analyze the signal of electron-phonon coupling in surface spectroscopy and thermal properties in various kind of solids.


Fig. 1 Schematic image of the theoretical method developed in our group

Selected Publications

  1. Emi Minamitani, Noriyuki Tsukahara, Daisuke Matsunaka, Yousoo Kim, Noriaki Takagi, Maki Kawai, “Symmetry-driven novel Kondo effect in a molecule”, Phys. Rev. Lett., 109 (2012) 086602.
  2. Emi Minamitani, Ryuichi Arafune, Noriyuki Tsukahara, Yoshitaka Ohda, Satoshi Watanabe, Maki Kawai, Hiromu Ueba, Noriaki Takagi “Surface phonon excitation on clean metal surfaces in scanning tunneling microscopy”, Phys. Rev. B93, 085411 (2016)
  3. E. Minamitani, N. Takagi, S. Watanabe, “Model Hamiltonian approach to the magnetic anisotropy of iron phthalocyanine at solid surfaces”, Phys. Rev. B94, 205402 (2016).
  4. R. Hiraoka, E. Minamitani, R. Arafune, N. Tsukahara, S. Watanabe, M. Kawai, and N. Takagi, “Single-Molecule Quantum Dot as a Kondo Simulator”, Nat. Commun., 8 16012 (2017).
  5. Emi Minamitani, Ryuichi Arafune, Thomas Frederiksen, Tetsuya Suzuki, Syed Mohammad Fakruddin Shahed, Tomohiro Kobayashi, Norifumi Endo, Hirokazu Fukidome, Satoshi Watanabe, Tadahiro Komeda “Atomic-scale characterization of the interfacial phonon in graphene/SiC” Phys. Rev. B96, 155431 (2017)