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

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

1999-10-21

arxiv.org/abs/cond-mat/9910319v1

Phys. Rev. Lett. 84, 1276 (2000)

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, RevTeX, 3 eps figure, additional material available at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene/

Scientific paper

10.1103/PhysRevLett.84.1276

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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