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APS » Journals » Phys. Rev. B » Volume 51 » Issue 11
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Phys. Rev. B 51, 7345–7348 (1995)

Three-dimensional electronic instabilities in polymerized solid AC60

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S.C. Erwin
Complex Systems Theory Branch, Naval Research Laboratory, Washington, D.C. 20375

G.V. Krishna and E.J. Mele
Department of Physics and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, Pennsylvania 19104

Received 28 December 1994; published in the issue dated 15 March 1995

The low-temperature structure of AC60 (A=K,Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a nonmetallic ground state. We study the paramagnetic state of this phase using first-principles electronic-structure methods, and examine the magnetic fluctuations around this state using a model Hamiltonian. The electronic and magnetic properties of even this polymerized phase remain strongly three dimensional, and the magnetic fluctuations favor an unusual three-dimensional antiferromagnetically ordered structure with a semimetallic electronic spectrum.

© 1995 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.51.7345
DOI:
10.1103/PhysRevB.51.7345
PACS:
71.25.-s, 61.46.+w
 
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