3.1 Governing Physical Equations



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3.1 Governing Physical Equations

  The structure of diffusion equations (3.1-1), (3.1-2) and boundary conditions (3.1-3) which can be treated by PROMIS is rather general.

 

 

 

are the concentrations (dependent variables) and is the number of quantities (equations). denotes the electrostatic potentials and is one of the dependent variables . In the flux definition (3.1-2) the first term () corresponds to diffusion fluxes. Note, that the flux of quantity may depend on the gradients of all concentrations (). For instance, dopant fluxes may be driven by gradients in the point defect concentrations. The second term () provides for field induced fluxes (drift). For almost all applications the local charge neutrality approximation is sufficient [Hu72], [Shr80]. In this case the effect of the electric field can be entirely included in the first term of (3.1-2) and affects only the values of (cf. Section 3.2.1).

The third term accounts for convective fluxes. The coefficient is of dimension velocity. Mostly, has the form , with a driving force and a mobility. The fourth term is just a utility term without a specific physical meaning.

The coefficients for the time derivatives will most often be the unity matrix. The last term in the continuity equation (3.1-1) denotes the recombination term.

In the boundary conditions (3.1-3), denotes the flux of the -th quantity perpendicular to the surface, flowing into the simulation area. Thus, any known type of boundary conditions, such as Neumann, Dirichlet, Cauchy for elliptic and parabolic systems of PDEs can be treated.

All coefficients may be functions of temperature, time and the spatial coordinates. All coefficients but may be functions of the dependent variables . Nevertheless, certain restrictions on the coefficients must be considered. If the matrix of is positive semi-definit, the are negative, and , the system described by (3.1-1) - (3.1-2) is well-posed ([Mit80], [Vem81]).

This set of equations allows the treatment of a wide variety of diffusion phenomena including point defect assisted diffusion under oxidizing conditions [Hu83], [Gil89], [Dun89], [Fah90], [Lev90], clustering effects and precipitation [Fai73], [Gue82], [Sol90], point defect and pair formation kinetics [Hu85], [Fai88], [Dür89], [Kim89], [Fai89], [Mor89], [Mul91], [Hu92b], grain boundary diffusion in polysilicon [Jon88], [Tak89], [Ozo90], [Pfi90], [Lau90], [Jon91], [Orl92], and the impact of stress effects on diffusion [Orl90], [Orl91a].



next up previous contents
Next: 3.2 Model Library Up: 3 Diffusion Previous: 3 Diffusion



Martin Stiftinger
Wed Oct 19 13:03:34 MET 1994