dc.contributor.author |
Calles, A |
|
dc.contributor.author |
Soto, JR |
|
dc.contributor.author |
Valladares, R |
|
dc.date.accessioned |
2011-01-22T10:27:45Z |
|
dc.date.available |
2011-01-22T10:27:45Z |
|
dc.date.issued |
1998 |
|
dc.identifier.issn |
0272-9172 |
|
dc.identifier.uri |
http://hdl.handle.net/11154/3325 |
|
dc.description.abstract |
The phonon spectrum and thermal parameters such as specific heat, effective temperature and amplitude of vibration of solid C-60 are studied from ab-initio calculations. The relative orientations between the C-60 balls are taken into account in a sc phase below 261.4K. The same properties are studied above the transition temperature (261.4K) where the balls are randomly oriented in a Sec structure. A difference is found in some of the thermal parameters due to the relative inter-molecular orientation. In particular, the low energy vibrational spectrum (which is separated by a similar to 20meV gap from the intra-molecular spectrum) is changed. |
en_US |
dc.language.iso |
en |
en_US |
dc.title |
Orientational order phase transition in solid C-60 |
en_US |
dc.type |
Article |
en_US |
dc.identifier.idprometeo |
2771 |
|
dc.source.novolpages |
481:285-290 |
|
dc.subject.wos |
Materials Science, Multidisciplinary |
|
dc.description.index |
WoS: SCI, SSCI o AHCI |
|
dc.relation.journal |
Phase Transformations and Systems Driven Far From Equilibrium |
|