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Molecular dynamical simulations on a-C:H film growth from atomic flux of C and H: Effect of H fraction |
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| Authors: | WL Quan HX Li L Ji W Du HD Zhou |
| Institution: | a State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, PR China b Graduate University of Chinese Academy of Sciences, Beijing 100049, PR China c School of Mathematics, Physics & Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, PR China |
| Abstract: | Molecular dynamical simulations are carried out to studying the hydrogenated amorphous carbon (a-C:H) film growth from C and H atoms. The effects of the H fraction in source atoms and incident energy on the film formation are investigated. Our simulations show that almost all the H atoms incorporating into the films bond to carbon and the amount of H2 molecules is very slight. Increasing the H fraction in source atoms raises the sp3-C fraction, leads to a linear increase of H concentration in film, but decreases the film growth rate. The influence of H fraction on the film growth mechanism is also discussed. |
| Keywords: | Hydrogenated carbon film H fraction Deposition mechanism Molecular dynamical simulation |
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