In this paper, first-principles calculations within the generalized gradient approximation (GGA) are carried out on the band gaps of zigzag SWNTs (7, 0) (8, 0) (9, 0) and (12, 0).
In this paper, first-principles calculations within the generalized gradient approximation (GGA) are carried out on the band gaps of zigzag SWNTs (7, 0) (8, 0) (9, 0) and (12, 0).
摘要本文采用基于广义梯度近似(GGA)的第一性原理方法，对锯齿型单壁破纳米管(7,0)、(8,0)、(9,0)、(12,0)的能带结构和能隙进行理论计算。