Metal-Insulator Transitions: Influence of Lattice Structure, Jahn-Teller Effect, and Hund's Rule Coupling

J. E. Han, E. Koch, and O. Gunnarsson
Phys. Rev. Lett. 84, 1276 – Published 7 February 2000
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Abstract

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 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.

  • Received 20 October 1999

DOI:https://doi.org/10.1103/PhysRevLett.84.1276

©2000 American Physical Society

Authors & Affiliations

J. E. Han, E. Koch, and O. Gunnarsson

  • Max-Planck-Institut für Festkörperforschung, D-70506 Stuttgart, Germany

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Vol. 84, Iss. 6 — 7 February 2000

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