Ferroelectricity in (K@C$_{60}$)$_n$

Dennis P. Clougherty

doi:10.1063/1.1324462

paper

Ferroelectricity in (K@C $_{60}$ ) $_{n}$

arXiv:cond-mat/0212525 · doi:10.1063/1.1324462

Abstract

A theoretical analysis of the ground state of long-chain (K@C $_{60}$ ) $_{n}$ is presented. Within mean field theory, a ferroelectric ground state is found to be stable because of the pseudo-Jahn-Teller mixing of the b $_{1 u}$ and the b $_{2 g}$ band with a zone-center optical phonon involving the displacement of the endohedral K^+ ions. A phase diagram for this model is derived in the narrow bandwidth regime.

6 pages, 4 figures

Ferroelectricity in (K@C60​)n​

Abstract

Ferroelectricity in (K@C $_{60}$ ) $_{n}$