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Publication
Title
Microscopic theory of orientational disorder and lattice instability in solid
Author
Callebaut, A.K.
Michel, K.H.
Abstract
We have developed a microscopic theory which describes the orientational dynamics of C-70 molecules and its coupling to lattice displacements in the face-centered-cubic phase of C-70 fullerite. The single-molecule orientational density distribution in the disordered phase is calculated. The ferroelastic transition to the rhombohedral phase is investigated. The discontinuity of the orientational order parameter at the phase transition is calculated. It is found that the transition leads to a stretching of the primitive unit cell along a [111] cubic direction. A softening of the elastic constant c(44) at the transition is predicted.
Language
English
Source (journal)
Physical review : B : condensed matter. - New York, N.Y., 1978 - 1997
Physical review : B : condensed matter and materials physics. - Lancaster, Pa, 1998 - 2015
Publication
New York, N.Y.
:
1995
ISSN
0163-1829 [print]
1095-3795 [online]
DOI
10.1103/PHYSREVB.52.15279
Volume/pages
52 :21 (1995) , p. 15279-15290
ISI
A1995TK97900042
Full text (Publisher's DOI)
https://doi.org/10.1103/PHYSREVB.52.15279
Full text (open access)
https://repository.uantwerpen.be/docman/irua/d9a13f/4294.pdf
UAntwerpen
Faculty/Department
Faculty of Sciences. Physics
Research group
Publication type
A1 Journal article
Subject
Physics
Affiliation
Publications with a UAntwerp address
External links
Web of Science
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Record
Identifier
c:irua:104421
Creation
03.01.2013
Last edited
10.09.2024
To cite this reference
https://hdl.handle.net/10067/1044210151162165141
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