2021/01/31 by Hitoshi Seo, M. Naka, Makoto Naka · 9 citations
Materials Science · Physics and Astronomy · #Antiferromagnetism #Computer science #Condensed matter physics #Electrical conductor #Magnetism in coordination complexes #Materials science #Mott insulator #Organic and Molecular Conductors Research #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Spin (aerodynamics) #State (computer science) #Type (biology) #cond-mat.str-el
paper · pdf · doi:10.7566/jpsj.90.064713
published in Journal of the Physical Society of Japan 90(6), 064713 (Physical Society of Japan) · 5 pages, 3 figures, replaced by the published version
openalex created_date 2021/02/01 · openalex publication_date 2021/05/27 · arxiv created 2021/06/19 · arxiv updated 2021/06/22 · openalex updated_date 2026/08/05
We numerically investigate the dynamical properties of κ-type molecular conductors in their antiferromagnetic Mott insulating state. By treating the extended Hubbard model on the two-dimensional κ-type lattice within the Lanzcos exact diagonalization method, we calculate the one-particle spectral function A(\boldsymbolk, ω) and the optical absorption spectra taking advantage of twisted boundary conditions. We find spin splitting in A(\boldsymbolk, ω) predicted by a previous Hartree-Fock study [M. Naka et al., Nat. Commun. 10, 4305 (2019)]; namely, their up- and down-spin components become different in the general \boldsymbolk-points of the Brillouin zone, even without the spin-orbit coupling. Furthermore, we demonstrate the variation in the optical properties near the Mott gap by the presence or absence of the antiferromagnetic order, tuned by a small staggered magnetic field.