单层α-石墨炔光学吸收性质的理论研究  

Theoretical Studies on Optical Absorption in Monolayerα-graphyne

作　　者：龚蕊 周畅 杨雅妃 任红亮 张国庆 冯小波[1,2] GONG Rui;ZHOU Chang;YANG Ya-fei;REN Hong-liang;ZHANG Guo-qing;FENG Xiao-bo(School of Physics and Electronic Information,Yunnan Normal University,Kunming 650500,China;Key Laboratory of Photoelectric Information Technology of Yunnan Province,Kunming 650500,China;Editorial Department of Jounal of Yunnan Normal University,Yunnan Normal University,Kunming 650092,China)

机构地区：[1]云南师范大学物理与电子信息学院,云南昆明650500 [2]云南省光电信息技术重点实验室,云南昆明650500 [3]云南师范大学学报编辑部,云南昆明650092

出　　处：《云南师范大学学报（自然科学版）》2021年第6期32-37,共6页Journal of Yunnan Normal University:Natural Sciences Edition

基　　金：国家自然科学基金资助项目(11764047);云南师范大学研究生科研创新基金资助项目(YJSJJ21-B63);云南师范大学博士科研启动基金资助项目(2013ZB020).

摘　　要：采用能量传递方法,得到了α-石墨炔顶角碳原子之间直接的相互作用能.采用紧束缚模型计算了单层α-石墨炔的电子能带结构;利用光子-电子相互作用微扰理论分别计算了单层α-石墨炔在Г点和K点的单光子吸收系数和双光子吸收系数.计算结果表明,α-石墨炔的能带和石墨烯的能带相似,也具有狄拉克锥;单层α-石墨炔在Г点附近的单光子吸收峰和双光子吸收峰相比石墨烯均向低能方向偏移,在K点附近的光学吸收系数随入射波长的增大而增大.The direct interaction energy between carbon atoms at the apex angle ofα-graphyne was obtained by energy transfer method.The electronic energy band structure of monolayerα-graphyne was calculated by tight binding model.The one-photon absorption coefficient and two-photon absorption coefficient of monolayerα-graphyne at theГand K points are calculated under the second-order perturbation theory of the photon-electron interaction.The results show that the energy band ofα-graphyne is similar to that of graphene,and it also has Dirac cone.The one-photon and two-photon absorption peaks of the monolayerα-graphyne near theГpoint are both in the low energy direction than those of graphene.The optical absorption coefficient ofα-graphyne near K point increases with the increase of incident wavelength.

关 键 词：α-石墨炔 紧束缚模型 光学吸收 

分 类 号：O43[机械工程—光学工程]