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Atomic scale models of Ion implantation and dopant diffusion in silicon

Technical Report ·
DOI:https://doi.org/10.2172/12209· OSTI ID:12209
We review our recent work on an atomistic approach to the development of predictive process simulation tools. First principles methods, molecular dynamics simulations, and experimental results are used to construct a database of defect and dopant energetics in Si. This is used as input for kinetic Monte Carlo simulations. C and B trapping of the Si self- interstitial is shown to help explain the enormous disparity in its measured diffusivity. Excellent agreement is found between experiments and simulations of transient enhanced diffusion following 20-80 keV B implants into Si, and with those of 50 keV Si implants into complex B-doped structures. Our simulations predict novel behavior of the time evolution of the electrically active B fraction during annealing.
Research Organization:
Lawrence Livermore National Lab., CA (US)
Sponsoring Organization:
USDOE Office of Energy Research (ER) (US)
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
12209
Report Number(s):
UCRL-ID-134079; KC0202020; KC0202020
Country of Publication:
United States
Language:
English