Physics – Condensed Matter – Materials Science
Scientific paper
2006-09-30
Physics
Condensed Matter
Materials Science
12 pages, 12 references, 9 figs, 7 tables
Scientific paper
We study the behavior of the C60 molecule under very high internal and external pressure using Tersoff potential. As a result, we calculate the critical internal and external pressures leading to its instability. We also calculate stretching force constant, breathing mode frequency and bulk modulus of this molecule. The data estimated here at zero pressure agrees closely to that obtained in earlier calculations. If subjected to extreme pressures the molecule can withstand upto 58.23% of compression and 174.89% of dilation in terms of its volume. We also observe that above some critical external pressure the coordination number of the carbon atoms of C60 molecule suddenly increases resulting in an abrupt change in the bulk modulus of the molecule.
Dharamvir Keya
Jindal V. K.
Kaur Narinder
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