Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
Understanding of ta-C Film Deposition by Means of Atomistic Simulations
Ion beam deposition of carbon films was studied by molecular-dynamics simulations. Using a slightly modified version1 of the analytical hydrocarbon potential of Brenner, deposition of films with a thickness of up to 10 nm was computed for ion energies E = 10-80 eV, and for substrate temperatures ranging from 100 to 900 K.
The following properties of the calculated films were analysed: (i) sp3 content versus mass density in inner film regions, (ii) binding energies of 3- and 4-fold coordinated carbon atoms in films of different mass densities, (iii) probability distributions for the number of sp3 atoms generated (or annihilated) per deposited ion, and (iv) structure and width of the graphite-like surface regions. As a result, an atomistic picture is provided which shows how the formation of tetrahedral amorphous carbon (ta-C) films is affected by both ion energy and substrate temperature.
1 H.U. Jäger and K. Albe, J. Appl. Phys. 88, 1129 (2000).
International Conference on Materials for Advanced Technologies (ICMAT 2001), Symp. F: Diamond, Diamond-like Carbon & Related Materials, 1 - 6 July 2001, Singapore