Physics – Condensed Matter – Materials Science
Scientific paper
2007-04-19
Physics
Condensed Matter
Materials Science
14 pages and 9 figures
Scientific paper
We study the behaviour of the C60 molecule under very high internal or external pressure using Tersoff as well as Brenner potentials. As a result, we estimate the critical internal and external pressures that lead to its instability. We also calculate stretching force constant and bulk modulus of this molecule at several pressures under which the molecule remains stable. The values of these estimated here at zero pressure agree closely with those obtained in earlier calculations. We also observe that at high pressures, a finite value of parameter of Tersoff potential gives physically acceptable results in contrast to its value zero, which is usually taken for the carbon systems.
Dharamvir Keya
Gupta Shuchi
Jindal V. K.
Kaur Narinder
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