Calculation of self-diffusion coefficients in diamond

In the light of recently reported pressure-volume-temperature relationships in diamond, we show that the self-diffusion coefficient of diamond as a function of temperature and pressure can be satisfactory reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects the parameters of point defects to the bulk properties. Our calculated self-diffusion coefficients are in good agreement with the experimental ones when the uncertainties are taken into account. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3680600]