Figure 1
Crystal structure of α -graphdiyne. (a) A unit cell and (b) a 4×4 supercell. (c) A simplified model to mimic the hopping matrix elements along two carbon triple bonds in α-graphdiyne. Carbon atoms 1 and 6 are at vertices of a hexagon in α-graphdiyne. The black balls and blue line represent carbon atoms and the crystalline cell, respectively.