Effects of short-range order on the electronic structure and optical properties of amorphous carbon |
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| Affiliation: | 1. Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg, Russian Federation;2. Ural Federal University, 620002 Ekaterinburg, Russian Federation;1. School of Materials and Mechanical and Electrical Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013, PR China;2. Institute of Functional Materials, Jiangxi University of Finance and Economics, Nanchang 330013, PR China;3. School of Materials Science and Engineering, Nanchang University, Nanchang 330031, PR China;4. School of Materials, Anshan University of Science and Technology, Anshan 114051, PR China;1. College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China;2. School of Environment and Chemical Engineering, Nanchang University, Nanchang 330031, China;1. Black Carbon Metrology, Measurement Science and Standards, National Research Council, Ottawa, Ontario, Canada K1A 0R6;2. CORIA-UMR6614, Normandie Université, CNRS, INSA et Université de Rouen, Av de l׳Université, 76800 Saint Etienne du Rouvray, France |
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| Abstract: | We have calculated the joint density of states and absorption coefficient of amorphous carbon, a-C:H, treating it as a ternary alloy of sp2 carbon, sp3 carbon and hydrogen. These optical properties have been calculated in terms of the above compositions and a short-range order parameter determining the degree of clustering of the sp2 (or sp3) carbon atoms. Our calculations show that this parameter has a significant effect on the Tauc gap, which seems to be considerably smaller than the mobility gap. By comparing, however, our theoretical values of the Tauc gap with experiments we deduce that the degree of clustering found in most real samples is very small. |
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