In this paper, we consider the optimum coordinate of the penta-graphene. Penta-graphene is a new stable carbon allotrope which is stronger than graphene. Here, we compare the band gap of penta-graphene with various density functional theory (DFT) methods. We plot the band structure of penta-graphene which calculated with the generalized gradient approximation functional, about Fermi energy.

翻译：在本文中,我们考虑了五溴二苯醚的最佳协调。五硝基苯是一种比石墨更强的新的稳定碳通球。在这里,我们将五甲基苯的波段差距与各种密度功能理论(DFT)方法作比较。我们绘制了五甲基苯的波段结构,该结构以普遍梯度近似功能计算,涉及Fermi能源。