Title
Theoretical model for the structural phase transition in polymerized KC60 Theoretical model for the structural phase transition in polymerized KC60
Author
Publication type
article
Publication
Amsterdam :Elsevier science bv ,
Subject
Chemistry
Source (journal)
Journal of electron spectroscopy and related phenomena. - Amsterdam
Source (book)
22nd Werner Brandt Workshop, JUN, 2002, NAMUR, BELGIUM
Volume/pages
129(2003) :2-3 , p. 133-137
ISSN
0368-2048
ISI
000184041100008
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Abstract
The recently discovered structural phase transition in polymerized KC60 at about 50 K leads to a doubling of the unit cell volume and accompanies 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 small orientational charge density waves (OCDWs) along the polymer chains. The effect is specific for the space group Pmnn of KC60 and is absent in Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge. The mechanism is also relevant for the metal-insulator transition. (C) 2003 Elsevier Science B.V. All rights reserved.
E-info
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