Diffusion of carbon in bcc Fe in the presence of Si

Journal article (2010)
Department
Microelectronics & Computer Engineering (EEMCS) (TU Delft)
Copyright: © 2010 The Author(s); American Physical Society
DOI: https://doi.org/doi:10.1103/PhysRevB.81.054116
More Info
expand_more

Published Date

26-02-2010

Reuse Rights

Other than for strictly personal use, it is not permitted to download, forward or distribute the text or part of it, without the consent of the author(s) and/or copyright holder(s), unless the work is under an open content license such as Creative Commons.

Source:

Physical Review B, 81 (5), 2010

Faculty

Electrical Engineering, Mathematics and Computer Science

Department

Microelectronics & Computer Engineering

Abstract

The interaction of interstitial carbon with substitutional silicon and the effect of this interaction on the diffusion of carbon within body-centered-cubic iron, are computed using electronic density-functional theory. Both the activation energy for diffusion and the diffusion prefactor are predicted. Good agreement is found for those cases where a comparison with experimental data is possible.