posted on 2025-03-18, 12:03authored byPinglan Yan, Yuke Song, Shifang Li, XiZhi Shi, Jin Li, Chaoyu He, Tao Ouyang, Chao Tang, jianxin Zhong
The fitted TB parameters for C; the band structures of several 2D and 3D carbon allotropes by TB and DFT-HSE; the projected DFT-HSE band structures of yellow α-graphyne with large a3 vector, separated yellow and blue α-graphyne sheets and the 3D interpenetrated α-graphyne.