Theoretical model for the structural phase transition at the metal- insulator transition in polymerized KC60
Materials Science
2009-11-07 v2
Abstract
The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the metal-insulator transition. Here we show that the (a+c,b,a-c) superstructure results from small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in Rb- and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.
Keywords
Cite
@article{arxiv.cond-mat/0205060,
title = {Theoretical model for the structural phase transition at the metal- insulator transition in polymerized KC60},
author = {B. Verberck and A. V. Nikolaev and K. H. Michel},
journal= {arXiv preprint arXiv:cond-mat/0205060},
year = {2009}
}
Comments
14 pages, 5 figures, and 3 tables