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The 27th AIRAPT International Conference on High Pressure Science and Technology
Abstract

Investigação


In situ high-pressure structural study of highly polymerized three-dimensional C60 fullerite

Authors:
Vadim Brazhkin (HPPI RAS - Institute for High Pressure Physics) ; Alexander Lyapin (HPPI RAS - Institute for High Pressure Physics)

Abstract:

The structure of highly polymerized three-dimensional (3D) fullerite C60 was studied by energy dispersive x-ray diffraction up to a pressure of 11 GPa. It is shown that this phase combines the features of an amorphous sp2sp3 covalent network and a crystallographically ordered phase with a long-range translational order associated with the modulation of the atomic density inherited from initial C60 molecules. Crystal reflections can be described in the framework of the fcc structure with an initial normal-pressure parameter of 11.718 Å, although this is probably the effect of averaging x-ray scattering. The bulk modulus of highly polymerized 3D C60, 280 GPa, determined from the pressure-induced change in the lattice parameter, is in agreement with the measured density and crystallographic density, as well as with the first coordination number Z=3.6, determined from the radial distribution function according to the theoretical calculations.  The value of Z indicates that ~60% of carbon atoms are in sp3 hybridized states and a high degree of polymerization is achieved due to [3+3] cycloaddition. Correlation between the density and bulk modulus is discussed for a wide set of carbon phases.