First-principles study of anomalous Nernst effect in half-metallic iron dichloride monolayer

  • Rifky Syariati
    Graduate School of Natural Science and Technology, Kanazawa University 1 , Kakuma, Kanazawa 920-1192, Japan
  • Susumu Minami
    Graduate School of Natural Science and Technology, Kanazawa University 1 , Kakuma, Kanazawa 920-1192, Japan
  • Hikaru Sawahata
    Graduate School of Natural Science and Technology, Kanazawa University 1 , Kakuma, Kanazawa 920-1192, Japan
  • Fumiyuki Ishii
    Nanomaterials Institute, Kanazawa University 2 , Kakuma, Kanazawa 920-1192, Japan

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<jats:p>We performed first-principles simulations to elucidate the transverse thermoelectric effect (anomalous Nernst effect) of the half-metallic FeCl2 monolayer. We analyzed its thermoelectricity based on the semiclassical transport theory including the effect of Berry curvature and found that carrier-doping induced a large anomalous Nernst effect that was ∼6.65 μV/K at 100 K if we assumed 10 fs for the relaxation time. This magnitude originates in a large Berry curvature at the K-point of a hexagonal Brillouin zone. These results suggest that two-dimensional ferromagnetic half-metallic materials can potentially be used in thermoelectric devices.</jats:p>

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