TY - JOUR
T1 - Antiferromagnetic State in κ-type molecular conductors
T2 - Spin splitting and mott gap
AU - Seo, Hitoshi
AU - Naka, Makoto
N1 - Funding Information:
Acknowledgment We thank K. Tsutsui for fruitful discussions. This work was supported by JSPS KAKENHI Grant Numbers 19K03723, 19H01833, 19K21860, 20H04463, and 20H00121, and the GIMRT Program of the Institute for Materials Research, Tohoku University, No. 19K0019.
Publisher Copyright:
©2021 The Physical Society of Japan.
PY - 2021/6/15
Y1 - 2021/6/15
N2 - 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 Aðk; !Þ and the optical absorption spectra taking advantage of twisted boundary conditions. We find spin splitting in Aðk; !Þ 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 k-points of the Brillouin zone, even without the spin–orbit coupling. Furthermore, we demonstrate the variation in the optical properties near the Mott gap caused by the presence or absence of the antiferromagnetic order, tuned by a small staggered magnetic field.
AB - 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 Aðk; !Þ and the optical absorption spectra taking advantage of twisted boundary conditions. We find spin splitting in Aðk; !Þ 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 k-points of the Brillouin zone, even without the spin–orbit coupling. Furthermore, we demonstrate the variation in the optical properties near the Mott gap caused by the presence or absence of the antiferromagnetic order, tuned by a small staggered magnetic field.
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U2 - 10.7566/JPSJ.90.064713
DO - 10.7566/JPSJ.90.064713
M3 - Article
AN - SCOPUS:85107559310
SN - 0031-9015
VL - 90
JO - journal of the physical society of japan
JF - journal of the physical society of japan
IS - 6
M1 - 064713
ER -