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Box-Integration Method

  We extend the second Fickian diffusion equation by a generation/recombination expression, thus the continuity equation for the diffusion process looks like (4.1-1), where tex2html_wrap_inline5057 is the diffusion current of the dopant and tex2html_wrap_inline4835 denotes an algebraic dopant generation/recombination rate and t the simulation time.

  equation1495

Let us assume tex2html_wrap_inline5635 to be the two-dimensional simulation domain covered by a grid consisting of N grid points. We extend this planar grid into the third dimension so that tex2html_wrap_inline5639 represents the Voronoi box volume around point i (see Fig. 4.1-8). If the given simulation grid is appropriate for the box integration method, the relation (4.1-2) must hold.

  equation1503

   figure1508
Figure 4.1-8: Volume discretization for the box integration method. The divergence operator is calculated for the shaded area tex2html_wrap_inline5639 .

To discretize the diffusion equation for point i, we integrate (4.1-1) over the box volume tex2html_wrap_inline5639 to obtain (4.1-3).

  equation1515

By applying the Gauß theorem

displaymath1525

which transforms a volume integral into a closed line integral, we get the discretized continuity equation for a given grid node i as given by (4.1-4), where the tex2html_wrap_inline5651 denotes the diffusion current, tex2html_wrap_inline5653 the diffusion flux across the box interface area tex2html_wrap_inline5655 in tex2html_wrap_inline5657 direction and tex2html_wrap_inline5659 is the distance between the grid point pair.

  equation1538

The flux tex2html_wrap_inline5653 is the projection tex2html_wrap_inline5663 and is assumed to be constant between the grid points ij. The sum tex2html_wrap_inline5667 can be seen as diffusion current balance in the integration box. The flux tex2html_wrap_inline5653 is now determined by the applied diffusion current model.



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