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• W1969272028 endingPage "174" @default.
• W1969272028 startingPage "161" @default.
• W1969272028 abstract "The microstructure and chemical bonding properties of amorphous carbon with 2.0 g/cm3 mass density prepared by magnetron sputtering have been studied by electron diffraction measurements, molecular dynamics and Monte Carlo simulations. The model structures were generated by simulated annealing techniques applying both classical Tersoff and Keating potentials and a quantum mechanical density functional method. By comparison of the experimental results with theoretically simulated diffraction data, the atomic scale structure is analyzed. The chemical bonding properties of the models are evaluated within a local valence orbital description. In this description, the electronic band gap properties are related to the formation of π-bonded sp2 clusters. Good agreement is found between experimental and simulated diffraction data for models showing a minimum in their electronic density of states at the Fermi energy. In these models, 60% of the atoms belong to one large π-bonded cluster and, hence, from the matrix of the structures. Isolated aromatic clusters of any size are not found. In the best fitting model, only 14% of all five-, six- and seven-membered rings are completely π-bonded." @default.
• W1969272028 created "2016-06-24" @default.
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• W1969272028 date "1995-04-01" @default.
• W1969272028 modified "2023-09-23" @default.
• W1969272028 title "Model studies of the structure and chemical bonding in amorphous carbon films prepared by magnetron sputtering" @default.
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• W1969272028 doi "https://doi.org/10.1016/0022-3093(94)00659-8" @default.
• W1969272028 hasPublicationYear "1995" @default.
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