General principles to high-throughput constructing two-dimensional carbon allotropes*

Project supported by the National Science Fund for Distinguished Young Scholars, China (Grant No. 51725103) and the National Natural Science Foundation of China (Grant No. 51671193). All calculations have been performed on the high-performance computational cluster in the Shenyang National University Science and Technology Park.

Xie Qing1, 2, Wang Lei1, 3, Li Jiangxu1, 3, Li Ronghan1, 3, Chen Xing-Qiu1, †
       

Band structures near the Dirac points for (a) C4-10-I, (b) C4-10-II, (c) C3-9-R, and (d) C3-11. The positions of Λ are (a) (0.021, 0.021), (b) (0.0, 0.023), and (c) (0.0, 0.273). (e) and (f) The 3D visualized electronic band structures of C4-10-I and C3-9-R to highlight the shapes of the Dirac cones around the Fermi level.