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arXiv 2101.09883cond-mat.str-el
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$κ$型分子导体中的反铁磁态:自旋分裂和Mott能隙

Antiferromagnetic State in $κ$-type Molecular Conductors: Spin Splitting and Mott Gap

Hitoshi Seo, Makoto Naka

摘要:

我们数值研究了反铁磁Mott绝缘态下$κ$型分子导体的动力学性质。通过Lanzcos精确对角化方法处理二维$κ$型晶格上的扩展哈伯德模型,计算了单粒子谱函数$A(\boldsymbol{k}, ω)$和利用扭曲边界条件的光吸收谱。我们发现$A(\boldsymbol{k}, ω)$中存在自旋劈裂,这是Hartree-Fock研究[M. Naka等人,国家通信10,4305(2019)];即,即使没有自旋-轨道耦合,它们的上自旋和下自旋分量在布里渊区的一般$\boldsymbol{k}$点中也变得不同。此外,我们证明了在莫特间隙附近的反铁磁顺序的存在或不存在的光学性质的变化,由一个小的交错磁场调谐。

英文摘要:

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 $A(\boldsymbol{k}, ω)$ and the optical absorption spectra taking advantage of twisted boundary conditions. We find spin splitting in $A(\boldsymbol{k}, ω)$ 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 $\boldsymbol{k}$-points of the Brillouin zone, even without the spin-orbit coupling. Furthermore, we demonstrate the variation in the optical properties near the Mott gap by the presence or absence of the antiferromagnetic order, tuned by a small staggered magnetic field.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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