Institute for Clean Energy & Advanced Materials, Southwest University, Chongqing, 400715, PR China.
Nanoscale. 2012 Feb 21;4(4):1044-50. doi: 10.1039/c1nr10885a. Epub 2011 Sep 30.
First-principle density functional theory (DFT) calculations with quasiparticle corrections and many body effects are performed to study the electronic and optical properties of graphene-based materials. This review summarizes the excitonic properties including optical transition spectra and the distribution of exciton wavefunctions, thus providing the theoretical knowledge and predictions for promising optical applications of graphene materials.
采用包含准粒子修正和多体效应的第一性原理密度泛函理论(DFT)计算来研究基于石墨烯的材料的电子和光学性质。本综述总结了激子性质,包括光学跃迁谱和激子波函数的分布,从而为石墨烯材料有前途的光学应用提供了理论知识和预测。