Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.nimb.2004.10.051
Title: The effect of interatomic potential in molecular dynamics simulation of low energy ion implantation
Authors: Chan, H.Y.
Nordlund, K.
Peltola, J.
Gossmann, H.-J.L.
Ma, N.L.
Srinivasan, M.P. 
Benistant, F.
Chan, L.
Keywords: Density Functional Theory
Molecular Dynamics
Universal potential
Issue Date: Jan-2005
Source: Chan, H.Y., Nordlund, K., Peltola, J., Gossmann, H.-J.L., Ma, N.L., Srinivasan, M.P., Benistant, F., Chan, L. (2005-01). The effect of interatomic potential in molecular dynamics simulation of low energy ion implantation. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 228 (1-4 SPEC. ISS.) : 240-244. ScholarBank@NUS Repository. https://doi.org/10.1016/j.nimb.2004.10.051
Abstract: Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV implantation using MD and investigate the effect of different interatomic potentials on the range profiles. As an approximation, only pair potentials are considered in this work. Density Functional Theory (DFT) is used to calculate the pair potentials for a wide range of dopants (B, C, N, F, Si, P, Ga, Ge, As, In and Sb) in single crystalline silicon. A commonly used repulsive potential is also included in the study. Importance of the repulsive and attractive regions of the potential has been investigated with different elements and we show that a potential depicting the right attractive forces is especially important for heavy elements at low energies. © 2004 Elsevier B.V. All rights reserved.
Source Title: Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
URI: http://scholarbank.nus.edu.sg/handle/10635/74780
ISSN: 0168583X
DOI: 10.1016/j.nimb.2004.10.051
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