|
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
|
|
|
DOI
|
|
|
|
10.1081/FST-120027164
|
|
|
Volume/pages
|
|
|
|
12
:1-2
(2004)
, p. 243-252
|
|
|
ISI
|
|
|
|
000220551600040
|
|
|
Full text (Publisher's DOI)
|
|
|
|
|
|