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Localized pi-Electron States in the Optical Absorption Spectrum of Tetrahedrally Coordinated Amorphous Carbon
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Localized pi-Electron States in the Optical Absorption Spectrum of Tetrahedrally Coordinated Amorphous Carbon
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Journal Article
Localized pi-Electron States in the Optical Absorption Spectrum of Tetrahedrally Coordinated Amorphous Carbon
2023
Overview
The paper presents result of ab initio methods exploiting to calculate the molar extinction spectrum of some model clusters, the molecular hybrid C.sub.24H.sub.30 included. Based on the comparison of the calculation with the experimental spectra of the main allotropic modifications of carbon, the absorption maximum with an energy of ~6 eV in the absorption spectrum of highly tetrahedral amorphous carbon (ta-C) attributed to the [pi] [right arrow] [pi]* optical transitions of electrons in a single aromatic ring. The edge sites of the ring covalently bonded with the sp.sup.3-hybridised carbon atoms of the amorphous matrix. The manifestation of a shoulder in the spectrum of the imaginary part of the refractive index of a film of highly tetrahedral amorphous carbon (ta-C), 4.6 eV, is assigned to [pi] [right arrow] [pi]* optical transitions of clusters distorted with hybrid Stone-Wallace-like defect, also covalently bonded with the amorphous matrix.
Publisher
Springer
Subject
