ISSN:
1090-6487
Keywords:
61.48.+c
;
81.15.Tv
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract It is established by x-ray diffraction and Raman scattering that the polymerization of C60 fullerene at 1.5 GPa and 723 K leads to the formation of an orthorhombic phase that is different from the previously identified high-pressure orthorhombic phase. It is determined by a calculation of the optimal packing of linear C60 polymers by the method of atom-atom potentials that the energetically favorable structure of the orthorhombic phase belongs to the space group P n n m and not the previously proposed group I m m m. The computed value of the rotation angle of the polymer chains that corresponds to the minimum packing energy was equal to 61°. The mechanisms leading to the formation of the polymerized phases are discussed on the basis of the results obtained.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1134/1.567505