Title
Theoretical model for the structural phase transition at the metal-insulator transition in polymerized <tex>$KC_{60}$</tex> Theoretical model for the structural phase transition at the metal-insulator transition in polymerized <tex>$KC_{60}$</tex>
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Lancaster, Pa ,
Subject
Physics
Source (journal)
Physical review : B : condensed matter and materials physics. - Lancaster, Pa, 1998 - 2015
Volume/pages
66(2002) :16 , p. 165425,1-165425,14
ISSN
1098-0121
1550-235X
1098-0121
Article Reference
165425
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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) over right arrow+(c) over right arrow,(b) over right arrow,(a) over right arrow-(c) over right arrow) 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 RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/014089/2067.pdf
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