2006/09/30 by Narinder Kaur, Kaur, Narinder, K. Dharamvir +3
Chemistry · Materials Science · Physics and Astronomy · #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Force Microscopy Techniques and Applications #Fullerene Chemistry and Applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0610007
12 pages, 12 references, 9 figs, 7 tables
arxiv created 2006/09/30 · openalex publication_date 2006/09/30 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.