%A Qun Wei, Quan Zhang, Mei-Guang Zhang, Hai-Yan Yan, Li-Xin Guo, Bing Wei %T A novel hybrid sp-sp2 metallic carbon allotrope %0 Journal Article %D 2018 %J Front. Phys. %J Frontiers of Physics %@ 2095-0462 %R 10.1007/s11467-018-0787-x %P 136105- %V 13 %N 5 %U {https://journal.hep.com.cn/fop/EN/10.1007/s11467-018-0787-x %8 2018-10-19 %X

In this paper, we propose a novel hybrid sp-sp2 monoclinic carbon allotrope mC12. This allotrope is a promising light metallic material, the mechanical and electronic properties of which are studied based on first-principles calculations. The structure of this new mC12 is mechanically and dynamically stable at ambient pressure and has a low equilibrium density due to its large cell volume. Furthermore, calculations of the elastic constants and moduli reveal that mC12 has a rigid mechanical property. Finally, it exhibits metallic characteristics, owing to the mixture of sp-sp2 hybrid carbon atoms.