Diffusion-segregation equation for simulation in heterostructures
Diffusion of impurity atoms or point defect species occurs simultaneously with segregation in materials that are inhomogeneous or consisting of heterostructures. Based on thermodynamic principles, a general diffusion-segregation equation (DSE) simultaneously describing the species' diffusion and segregation behavior has been derived. The DSE treats the diffusion-segregation problems on the same fundamental level as the diffusion problems are treated by Fick's Laws. A critical comparison of modeling diffusion-segregation phenomena using the DSE vs. Previous formulations is given. The wide range of applications of the DSE is demonstrated by several examples.