Ab-Initio Study of Structural, Electronic, and Elastic Properties of Graphene

Аннотация

Since its discovery in 2004, graphene has attracted the intention of several researchers in the world because of its fascinating electronic and mechanical properties. Various theoretical and experimental works have been devoted to this material. In this paper, we used a full-potential linearized augmented plane-wave (FP-LAPW) method to investigate the structural, electronic, and mechanical properties o f graphene in hexagonal structure within local density and generalized gradient approximations (LDA and GGA).