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Gap opening mechanism for correlated Dirac electrons in organic compounds α-(BEDT-TTF)₂I₃ and α-(BEDT-TSeF)₂I₃
Daigo Ohki, Kazuyoshi Yoshimi, Akito Kobayashi, Takahiro Misawa
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To determine how electron correlations open a gap in two-dimensional massless Dirac electrons in the organic compounds α-(BEDT-TTF)₂I₃ [α-(ET)₂I₃] and α-(BEDT-TSeF)₂I₃ [α-(BETS)₂I₃], 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 α-(ET)₂I₃, while an insulating phase without explicit symmetry breaking appears in α-(BETS)₂I₃. 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 α-(BETS)₂I₃. 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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