Phys. Rev. Lett. 84, 1276–1279 (2000)Metal-Insulator Transitions: Influence of Lattice Structure, Jahn-Teller Effect, and Hund's Rule CouplingReceived 20 October 1999; published in the issue dated 7 February 2000 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. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.84.1276
DOI:
10.1103/PhysRevLett.84.1276
PACS:
71.20.Tx, 71.10.Fd, 71.30.+h
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