A body-centered tetragonal carbon (bct-Carbon) allotrope has been predicted to be a transparent carbon polymorph obtained under pressure. The structural transition pathways from graphite to diamond, M-Carbon, and bct-Carbon are simulated and the lowest activation barrier is found for the graphite-bct transition. Furthermore, bct-Carbon has higher shear strength than diamond due to its perpendicular graphene-like structure. Our results provide a possible explanation for the formation of a transparent carbon allotrope via the cold compression of graphite. We also verify that this allotrope is hard enough to crack diamond.
@article{arxiv.1003.1569,
title = {Ab initio study of the formation of transparent carbon under pressure},
author = {Xiang-Feng Zhou and Xiao Dong and Guang-Rui Qian and Lixin Zhang and Yonjun Tian and Hui-Tian Wang},
journal= {arXiv preprint arXiv:1003.1569},
year = {2010}
}