First-principles study of plasmons in doped graphene nanostructures  

作　　者：Xiao-Qin Shu Xin-Lu Cheng Tong Liu Hong Zhang 舒晓琴;程新路;刘彤;张红(College of Mathematics and Physics,Leshan Normal College,Leshan 614000,China;College of Physics,Sichuan University,Chengdu 610065,China;School of Science,Xihua University,Chengdu 610065,China)

机构地区：[1]College of Mathematics and Physics,Leshan Normal College,Leshan 614000,China [2]College of Physics,Sichuan University,Chengdu 610065,China [3]School of Science,Xihua University,Chengdu 610065,China

出　　处：《Chinese Physics B》2021年第9期476-482,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11974253);the National Key Research and Development Program of China(Grant No.2017YFA0303600);the Scientific Research Project of Leshan Normal University,China(Grant Nos.XJR17007,LZDP012,and DGZZ202009).

摘　　要：The operating frequencies of surface plasmons in pristine graphene lie in the terahertz and infrared spectral range,which limits their utilization.Here,the high-frequency plasmons in doped graphene nanostructures are studied by the time-dependent density functional theory.The doping atoms include boron,nitrogen,aluminum,silicon,phosphorus,and sulfur atoms.The influences of the position and concentration of nitrogen dopants on the collective stimulation are investigated,and the effects of different types of doping atoms on the plasmonic stimulation are discussed.For different positions of nitrogen dopants,it is found that a higher degree of symmetry destruction is correlated with weaker optical absorption.In contrast,a higher concentration of nitrogen dopants is not correlated with a stronger absorption.Regarding different doping atoms,atoms similar to carbon atom in size,such as boron atom and nitrogen atom,result in less spectral attenuation.In systems with other doping atoms,the absorption is significantly weakened compared with the absorption of the pristine graphene nanostructure.Plasmon energy resonance dots of doped graphene lie in the visible and ultraviolet spectral range.The doped graphene nanostructure presents a promising material for nanoscaled plasmonic devices with effective absorption in the visible and ultraviolet range.

关 键 词：doped graphene absorption spectroscopy time-dependent density functional theory 

分 类 号：O53[理学—等离子体物理] TQ127.11[理学—物理] TB383.1[化学工程—无机化工]