S. List et al., ATOMISTIC EVALUATION OF DIFFUSION THEORIES FOR THE DIFFUSION OF DOPANTS IN VACANCY GRADIENTS, Microelectronics, 26(2-3), 1995, pp. 261-264
A new approach is used for the calculation of transport coefficients f
or dopants and vacancies from atomic jump frequencies in the presence
of dopant or vacancy gradients. Results are shown for diffusion under
vacancy gradients with an attractive potential between the dopant and
the defect. It is demonstrated that for a given vacancy gradient not o
nly the absolute value but also the sign of the dopant flux depends on
the range of the binding potential.