Title
Orientational charge density waves and the metal-insulator transition in polymerized KC60
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
New York ,
Subject
Physics
Source (journal)
AIP conference proceedings / American Institute of Physics. - New York
Volume/pages
723(2004) , p. 339-342
ISSN
0094-243X
ISI
000224699400072
Carrier
E
Target language
English (eng)
Affiliation
University of Antwerp
Abstract
Polymerized KC60 undergoes a structural phase transition accompanied by a metal-insulator transition around 50 K. To explain the structural aspect, a mechanism involving small orientational deviations of the valence electron density on every C-60 monomer orientational charge density waves (OCDWs) - has already been proposed earlier. In the present work, we address the metal-insulator transition using the OCDW concept. We are inspired by the analogy between a polymer chain exhibiting an OCDW and a linear atomic chain undergoing a static lattice deformation doubling the unit cell: such a deformation implies a band gap at the zone boundary, yielding an insulating state (Peierls instability). Within our view, a similar mechanism occurs in polymerized KC60; the OCDW plays the role of the lattice deformation. We present tight-binding band structure calculations and conclude that the metal-insulator transition can indeed be explained using OCDWs, but that the threedimensionality of the crystal plays an unexpected key role.
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