THE THEORETICAL-STUDIES OF ORIENTATIONAL PHASE-TRANSITIONS IN SOLID C60

Authors
XIN H YANG LF OUYANG LZ
Citation
H. Xin et al., THE THEORETICAL-STUDIES OF ORIENTATIONAL PHASE-TRANSITIONS IN SOLID C60, Huaxue xuebao, 52(10), 1994, pp. 990-995
Citations number
13
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
52
Issue
10
Year of publication
1994
Pages
990 - 995
Database
ISI
SICI code
0567-7351(1994)52:10<990:TTOOPI>2.0.ZU;2-Y
Abstract
The possible orientations in solid C60 were studied by using the model of classical molecular interaction. An orientational dynamics' model was developed to calculate the phase transition temperature of the obs erved face-centre-cubic phase to simple-cubic phase. The calculated tr ansition temperature T(c) = 250K, and its pressure dependence dT(c)/dp = 11.4K / 10(8)Pa agrees well with the experiments. Below T(c), the g lassy transition temperature T(g) = 93K was also predicted correctly.