标题：Theoretical investigation of quasiparticle band structures and optical spectra of large-diameter semiconducting single-walled carbon nanotubes
作者：Xia, Y.Y. ;Mu, J.L. ;Leng, X. ;Ma, Y.C. ;Zhao, M.W. ;Liu, X.D. ;Fang, J.X.
作者机构：[Xia, Y.Y. ;Fang, J.X. ] Advanced Research Center for Optics, Shandong University, Jinan, China;[Zhao, M.W. ;Liu, X.D. ] School of Physics and State K 更多
会议名称：8th Annual IEEE International Conference on Nano/Micro Engineered and Molecular Systems, IEEE NEMS 2013
会议日期：7 April 2013 through 10 April 2013
来源：8th Annual IEEE International Conference on Nano/Micro Engineered and Molecular Systems, IEEE NEMS 2013
关键词：energy gap; exciton binding energy; SWCNTs
摘要：Using ab initio many-body perturbation theory (within GW approximation and Bethe-Salpeter equation), including electronic exchange, correlation, and electron-hole interaction effects, we study the optical properties of large-diameter semiconducting single-walled carbon nanotubes (SWCNTs). The calculated energies of the lowest two optically allowed transitions (E 11 and E22) agree well with those deduced from experiments. The lowest optical allowed transition of these tubes is between the first two van Hove singularities on each side of the Fermi level, which is different from that of small-diameter tubes. The exciton binding energy for E11 is calculated, which is consistent with that of the experiments. © 2013 IEEE.