In this paper we introduce a new structure similar to the graphane which we call it penta graphane. This structure is obtained by adding hydrogen to penta graphene bond. We study the electronic and phononic structure of penta graphane. We firstly use with the generalized gradient approximation to compute the band structure.
翻译:在本文中,我们引入了一种与我们称之为五角石墨的石墨烷类似的新结构。通过在五角石墨联结中添加氢来获得这种结构。我们研究了五角石墨的电子和声波结构。我们首先使用通用梯度近似值来计算波段结构。