π-Plasmon model for carbon nano structures: Application to porphyrin

3rd International Workshop on Theoretical and Computational Physics: Complex Systems and Interdisciplinary Physics;40th National Conference on Theoretical Physics

物理学;计算机科学

Ha, Dao Thu^1 ; Anh, Chu Thuy^1 ; Nga, Do Thi^1 ; Thanh, Le Minh^1 ; Van, Tran Thi Thanh^1 ; Viet, Nguyen Ai^1

Institute of Physics, Vietnam Academy of Science and Technology, 10 Dao Tan, Ba Dinh, Hanoi, Viet Nam^1

关键词: Carbon Nanostructures;    Electron hole pairs;    Low dimensional;    New parameters;    Peak position;    Single excitation;    UV-VIS absorption spectra;    UV-vis absorptions;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/726/1/012006/pdf
DOI  :  10.1088/1742-6596/726/1/012006

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

In traditional concept, the optical properties of semiconductors and semimetals near their fundamental optical band gaps are attributed to single excitations (such electron-hole pairs, excitons). In our earlier article, we proposed the collective mechanism of π-plasmons for optical properties of low dimensional carbon nano structures. A simple way to calculate the peak positions of UV-vis absorption spectra was pointed out and gave a good agreement with experimental data. In this work we analyze different schemas to calculate the UV-vis absorption peaks. A new parameter k which characterizes the dependence of schema on geometry and number of carbon sites is defined. As an example, the case of porphyrin was investigated.