Physics – Condensed Matter – Materials Science
Scientific paper
2012-02-27
Physics
Condensed Matter
Materials Science
3 pages, 3 figures
Scientific paper
A novel allotrope of carbon with $P2/m$ symmetry was identified during an \emph{ab-initio} minima-hopping structural search which we call $M10$-carbon. This structure is predicted to be more stable than graphite at pressures above 14.4 GPa and consists purely of $sp^3$ bonds. It has a high bulk modulus and is almost as hard as diamond. A comparison of the simulated X-ray diffraction pattern shows a good agreement with experimental results from cold compressed graphite.
Amsler Maximilian
Botti Silvana
Flores-Livas José A.
Goedecker Stefan
Marques Miguel A. L.
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