Using very simple first principles calculations of the theoretical strength of diamond we were able to explain the remarkable dominance of the {111} cleavage plane when diamond is broken
Theoretical Strength and Cleavage of Diamond
R. H. Telling, C. J. Pickard, M. C. Payne, and J. E. Field
Phys. Rev. Lett.
84
, 5160 (2000)
We linked the occupation of a free electron like state in the intercalated graphites with their superconductivity, or otherwise
The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds
G.Csányi, P. B. Littlewood, A. H. Nevidomskyy, C. J. Pickard and B. D. Simons,
Nature Physics
1
, 42 - 45 (2005)
Superconductivity: Would your graphite pencil superconduct?
, T. Klapwijk,
Nature Physics
1
, 17 - 18 (2005)