Open AccessЭнергетический спектр и спектр оптического поглощения экзоэдрального фуллерена С-=SUB=-50-=/SUB=-Cl-=SUB=-10-=/SUB=- в модели Хаббарда
Author(s) -
А.В. Силантьев
Publication year - 2022
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2022.06.52403.290
Subject(s) - fullerene , spectral line , interpretation (philosophy) , molecule , symmetry (geometry) , absorption spectroscopy , absorption (acoustics) , energy (signal processing) , molecular physics , atomic physics , physics , chemistry , computational chemistry , quantum mechanics , mathematics , optics , geometry , computer science , programming language
Energy spectra of fullerene C50 and exohedral fullerene С50Cl10 with the D5h symmetry groups have been obtained within the Hubbard model and static fluctuation approximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of molecules C50 and С50Cl10 have been determined. On the basis of the energy spectrum of exohedral fullerene С50Cl10 is given an interpretation of experimentally observed optical absorption bands molecule С50Cl10.