Metal-insulator transitions: Influence of lattice structure, Jahn-Teller effect, and Hund's rule coupling

E. Koch; J.E. Han; O. Gunnarsson (Max-Planck-Institut fur Festkorperforschung; Stuttgart)

arxiv: cond-mat/9910319 · v1 · submitted 1999-10-21 · ❄️ cond-mat.str-el

Metal-insulator transitions: Influence of lattice structure, Jahn-Teller effect, and Hund's rule coupling

J.E. Han , E. Koch , O. Gunnarsson (Max-Planck-Institut fur Festkorperforschung , Stuttgart) This is my paper

classification ❄️ cond-mat.str-el

keywords couplingjahn-tellereffecthundlatticemetal-insulatorrulestructure

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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 (A= K, Rb). The difference in 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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Metal-insulator transitions: Influence of lattice structure, Jahn-Teller effect, and Hund's rule coupling

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