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arXiv · 2209.13460

Gap opening mechanism for correlated Dirac electrons in organic compounds $\alpha$-(BEDT-TTF)$_2$I$_3$ and $\alpha$-(BEDT-TSeF)$_2$I$_3$

Daigo Ohki·Kazuyoshi Yoshimi·Akito Kobayashi·Takahiro Misawa
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Abstract

To determine how electron correlations open a gap in two-dimensional massless Dirac electrons in the organic compounds $\alpha$-(BEDT-TTF)$_2$I$_3$ [$\alpha$-(ET)$_2$I$_3$] and $\alpha$-(BEDT-TSeF)$_2$I$_3$ [$\alpha$-(BETS)$_2$I$_3$], we derive and analyze $ab$ $initio$ low-energy effective Hamiltonians for these two compounds. We find that the horizontal stripe charge ordering opens a gap in the massless Dirac electrons in $\alpha$-(ET)$_2$I$_3$, while an insulating phase without explicit symmetry breaking appears in $\alpha$-(BETS)$_2$I$_3$. We clarify that the combination of the anisotropic transfer integrals and the electron correlations induces a dimensional reduction in the spin correlations, i.e., one-dimensional spin correlations develop in $\alpha$-(BETS)$_2$I$_3$. We show that the one-dimensional spin correlations open a gap in the massless Dirac electrons. Our finding paves the way for opening gaps for massless Dirac electrons using strong electronic correlations.

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Daigo Ohki, Kazuyoshi Yoshimi, Akito Kobayashi, Takahiro Misawa. 2022-09-27. Gap opening mechanism for correlated Dirac electrons in organic compounds $\alpha$-(BEDT-TTF)$_2$I$_3$ and $\alpha$-(BEDT-TSeF)$_2$I$_3$. https://doi.org/10.1103/physrevb.107.l041108

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