n-diamond: an intermediate state between rhombohedral graphite and diamond?

Details n-diamond: an intermediate state between rhombohedral graphite and diamond? n-diamond: an intermediate state between rhombohedral graphite and diamond?

May 2006

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006njph....8...62w&link_type=abstract

New Journal of Physics, Volume 8, Issue 5, pp. 62 (2006).

Physics

1

Scientific paper

A powder sample of n-diamond (new-diamond) synthesized from Fe-catalysed carbon black was investigated using the x-ray diffraction (XRD) technique. Based on the analysis and simulation of the peak position and intensity of the observed XRD pattern, the crystal structure of n-diamond was determined to be a R3 space group with cell angle α = 90° and lattice parameter a0 = 3.5809 Å. Using the experimentally determined space group and internal coordinates, first-principle calculations have obtained an equilibrium lattice constant that is close to the measured value. Assuming n-diamond as a transition state between rhombohedral graphite and diamond, the energetics on a path between rhombohedral graphite and diamond is computed and discussed.

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