Dynamical Jahn--Teller effect and antiferromagnetism in Cs$_3$C$_{60}$
Strongly Correlated Electrons
2015-04-06 v1
Abstract
The dynamical Jahn--Teller effect on fullerene sites in insulating CsC is investigated fully ab initio. The vibronic excitations of rotational type are at 65 cm while the net kinetic contribution to the Jahn--Teller stabilization energy constitutes ca 90 meV. This means that no localization of distortions by intermolecular interactions is possible in these fullerides, therefore, free rotations of deformations take place independently on each C. The latter destroy the orbital ordering and establish a conventional exchange interaction between on fullerene sites. The corresponding exchange model is derived and predicts the N\'{e}el temperature for A15 CsC close to experiment.
Cite
@article{arxiv.1504.00859,
title = {Dynamical Jahn--Teller effect and antiferromagnetism in Cs$_3$C$_{60}$},
author = {Naoya Iwahara and Liviu F. Chibotaru},
journal= {arXiv preprint arXiv:1504.00859},
year = {2015}
}
Comments
8 pages, 2 figures