Quantum espresso（第一原理計算）で予測した多層積層Grapheneの層間相互作用がラマンスペクトルに及ぼす影響

抄録

In recent years, various new semiconductor materials have been studied to replace silicon due to the limitation of silicon’s physical properties. Graphene is one of the next-generation material because of its high performance in electrical and thermal conductivity and mechanical strength. Graphene also has different properties depending on the number of layer. Therefore, the evaluation of the number of layer is very important for industrial use. Raman spectroscopy is the one of the powerful tool to evaluate the physical properties of carbon materials. In this study, we have studied the effects of the number of layers of graphene on Raman spectrum by using first-principles calculations. The intensity of Raman spectrum increased with increasing the number of graphene layers. This result indicates one of the effective prediction method to evaluate the number of graphene layers by Raman intensity.