Publication
Title
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized
Author
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.
Language
English
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
Publication
Place of publication unknown : 2004
ISSN
1536-383X
Volume/pages
12:1-2(2004), p. 243-252
ISI
000220551600040
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 03.05.2017
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