Physics – Condensed Matter – Materials Science
Scientific paper
1999-08-09
Physics
Condensed Matter
Materials Science
MS Word Document, 26 pre-print pages, 11 figures and 34 references
Scientific paper
10.1142/S0217979200000066
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as bulk modulus, lattice and orientational structure, thermal expansion, phonon frequency shift, Gruneisen parameters, heat capacity and entropy have been calculated and compared with available data. Though results for some of these properties have been calculated earlier, using improved potential models to suit C60 solid, this paper ascertains the extent of validity of a potential used successfully in the past explaining the observed properties of aromatic hydrocarbons. The same potential used without modification does reproduce, barring orientational absolute minimum configuration, broadly, all the other calculated properties to similar degree of accuracy. It thus provides a platform to include additional terms for interpreting properties of doped C60 solids and polymerized C60 systems.
Dharamvir Keya
Jindal V. K.
Singh Sarbpreet
No associations
LandOfFree
Temperature and Pressure Effects on Lattice Properties of Pure C60 Solid does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Temperature and Pressure Effects on Lattice Properties of Pure C60 Solid, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Temperature and Pressure Effects on Lattice Properties of Pure C60 Solid will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-221786