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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.43 [2005] >
IJPAP Vol.43(09) [September 2005] >
| Title: | Bulk properties of alkali doped C60 solids |
| Authors: | Ranjan, K
Dharamvir, K
Jindal, V K |
| Keywords: | KnC60
RbnC60
CsnC60
Coulomb potential
Lattice constant
Cohesive energy
Bulk modulus |
| Issue Date: | Sep-2005 |
| Publisher: | CSIR |
| IPC Code: | C01B31/00 |
| Abstract: | The model calculations are presented for potassium, rubidium and cesium doped C60 solids formed by exohedral doping in pure C60
solid. The molecular formula is MnC60, M is the alkali
metal (K, Rb and Cs) and n takes
integer values 1, 3, 4 and 6. The C60
molecule is modelled as a uniform spherical shell having surface density of
carbon atoms. Part of the electrons released by ionized alkali atoms
distributed on the C60 molecule making it an anion, while the rest
(say x) are assumed to form a
delocalised electron gas. This electron gas screens the Coulomb interaction
between the various anion and cations. With these assumptions, the total
cohesive energy is calculated taking into consideration Van der Waals and
screened Coulomb interaction between different ions. We found that the total
charge transfer from cation to anion is favoured. Thus ionic character of
alkali doped C60 solids is established on the basis of the model.
The lattice constant, cohesive energy and Bulk modulus for these systems are in
good agreement with other calculation or experimental observations. We make
some remarks on phase stability of these solids. |
| Page(s): | 654-659 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.43(09) [September 2005]
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