We study the influence of the lattice structure, the Jahn-Teller effect, and the Hund's rule coupling on a metal-insulator transition in AₙC₆₀ (A0ex0ex=0ex0exK,Rb). The difference in the lattice structure favors A₃C₆₀ (fcc) being a metal and A₄C₆₀ (bct) being an insulator, and the coupling to Hg Jahn-Teller phonons favors A₄C₆₀ being nonmagnetic. The coupling to Hg ( Ag) phonons decreases (increases) the value Uc of the Coulomb integral at which the metal-insulator transition occurs. There is an important partial cancellation between the Jahn-Teller effect and the Hund's rule coupling.
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Han et al. (2000) studied this question.
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