Title
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized <tex>$KC_{60}$</tex> Theoretical model for the structural phase transition and the metal-insulator transition in polymerized <tex>$KC_{60}$</tex>
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
,
Subject
Physics
Chemistry
Engineering sciences. Technology
Source (journal)
Fullerenes, nanotubes, and carbon nanostructures. - Place of publication unknown
Source (book)
6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA
Volume/pages
12(2004) :1-2 , p. 243-252
ISSN
1536-383X
ISI
000220551600040
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow - (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds.
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