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http://hdl.handle.net/11154/3325
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Title: | Orientational order phase transition in solid C-60 |
Authors: | Calles, A Soto, JR Valladares, R |
Issue Date: | 1998 |
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. |
URI: | http://hdl.handle.net/11154/3325 |
ISSN: | 0272-9172 |
Appears in Collections: | Física
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