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Prediction of a novel monoclinic carbon allotrope

Authors: M. Amsler, J. Flores-Livas, M.A.L. Marques, S. Botti, and S. Goedecker

Ref.: Eur. Phys. J. B 86, 383 (2013)

Abstract: A novel allotrope of carbon with P2/m symmetry was identified during an 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 sp3 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.

Citations: 12 (Google scholar)

DOI: 10.1140/epjb/e2013-40639-4

URL: arxiv.org

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Bibtex:

@article{Amsler_2013,
	doi = {10.1140/epjb/e2013-40639-4},
	url = {https://doi.org/10.1140%2Fepjb%2Fe2013-40639-4},
	year = 2013,
	month = {sep},
	publisher = {Springer Science and Business Media {LLC}},
	volume = {86},
	number = {9},
	author = {Maximilian Amsler and Jos{\'{e}} A. Flores-Livas and Miguel A.L. Marques and Silvana Botti and Stefan Goedecker},
	title = {Prediction of a novel monoclinic carbon allotrope},
	journal = {The European Physical Journal B}
}