Generally, is a function of several physical variables defined on two given grid points ij (4.1-5), where is the electrostatic potential, the net doping, the intrinsic carrier density and C the doping concentration at the grid points i and j, respectively.
We will discuss now several discretizations of diffusion current models starting with the diffusion flux followed after the first Fickian law (4.1-6).
Using the finite-difference approximation the discretized diffusion current at the ij-th grid line becomes to (4.1-7).
The average diffusion coefficient is defined as the projection of the diffusivities at the grid points i and j, and , to the mid-edge point of (see 4.1-8).
The current discretization (4.1-7) allows the easy implementation of a static clustering model. Only the dopant concentrations and have to be replaced by the mobile species and , where an algebraic relation (4.3-20) can be used to calculate the active species.
To account for the electric field of the charged dopants the diffusion flux model (4.1-6) has to be extended by a field enhancement term, where Z denotes the charge state of the dopant. Equation (4.1-9) gives the diffusion flux for single negatively charged dopants under thermal equilibrium and by assuming Boltzmann statistics to predict the electrostatic potential , where the electron concentration is scaled to the intrinsic carrier density .
For a general formulation of the field enhancement the electron concentration n has to be replaced by the majority carrier concentration. The discretized diffusion current is then given by (4.1-10).
Using the box integration method offers the possibility of using the Scharfetter-Gummel discretization scheme for the diffusion current [Sch69]. Again, the field enhancement flux reads
The electrostatic potential is scaled to the thermal voltage and the Einstein relation is used to express the mobility . Assuming a constant diffusion flux along the discretization interval , we obtain a differential equation for the dopant concentration within the discretization interval to (4.1-12). The boundary conditions are given to and .
This equation represents an ordinary differential equation for the unknown , where the electrostatic field is assumed to be constant between the interval . This implies a linear dependence of the electrostatic potential within . The electric field is approximated by the finite difference expression (4.1-13).
By solving the differential equation (4.1-12) for and re-inserting the solution, the discretized current between the grid points ij is given by (4.1-14), where B(x) are the the Bernoulli-coefficients (4.1-15) and an auxiliary variable (4.1-16).