Molecular dynamics with phase-shift-based electronic stopping for calibration of ion implantation profiles in crystalline silicon

• Published in: Thin solid films Vol. 504; no. 1; pp. 121 - 125
• Main Authors: Chan, H.Y., Nordlund, K., Gossmann, H.-J.L., Harris, M., Montgomery, N.J., Mulcahy, C.P.A., Biswas, S., Srinivasan, M.P., Benistant, F., Ng, C.M., Chan, Lap
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Lausanne Elsevier B.V 10.05.2006; Elsevier Science
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Electron states; Electronic stopping; Exact sciences and technology; Interatomic potential; Methods of electronic structure calculations; Molecular dynamics; Nuclear stopping; Physics; Molecular dynamics; Interatomic potential; Nuclear stopping; Electronic stopping; Ion implantation; Inorganic compounds; Phase shift; Pair potentials; Digital simulation; Molecular dynamics method; Theoretical study; Electron collisions; Calibration; Fermi level; Density functional method; Silicon; Semiempirical method
• ISSN: 0040-6090; 1879-2731
• DOI: 10.1016/j.tsf.2005.09.153

Prediction of the final dopant positions after ion implantation has always been strongly influenced by the choice of stopping models. A molecular dynamics (MD) method is used in this work; the nuclear stopping is treated by accurate pair potentials calculated by density functional theory (DFT). The slowing down due to collisions with electrons will be described by both a non-local semi-empirical model and a local model based on Fermi level phase shift factors. Comparisons with experimental data using both models show that a local pair-specific electronic stopping model is essential in accurately predicting range profiles for any element even at low implant energies where nuclear effects are dominant.