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Updated: May 30, 2026
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Electronic structure of C(84) film studied by photoemission measurement and first-principles calculation
Hong-Nian Li1, Hua Yang, Xiao-Xiong Wang
1Department of Physics, Zhejiang University, Hangzhou 310027, People's Republic of China.
Abstract:
We have measured the photoemission spectra of a C(84) film (isomer mixture) with synchrotron radiation. The valence band exhibits abundant spectral features from the Fermi level to ∼18 eV binding energy. The relative intensity between the lowest binding energy feature (labeled as A) and the next lowest binding energy feature (labeled as B) oscillates distinctly within the experimental photon energy region from 21.0 to 63.0 eV. The energy levels and density of states (DOS) are calculated for the D(2d)(23)- C(84) and four D(2) symmetric (D(2)(1), D(2)(5), D(2)(21) and D(2)(22)) C(84) isomers to help us to understand the electronic structure. The experimental features and the theoretical DOS peaks have one-to-one correspondence. The number of electrons occupying the states of feature A is 12 or 13.3, depending on the different kinds of isomer mixtures. The electron occupation of feature B is 18.67 e. With the spherical symmetric approximation, features A and B can be characterized with angular momenta of 6 and 5, respectively. The angular momentum difference is the reason for the photoelectron intensity oscillations.
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