The influence of carbon atoms on the magnetic moment in the Fe-C system: calculation from the first principles

From the first principles, influence of carbon content on magnetic moment theBCC- and BCC Fe-C systems was evaluated. The Fe-0.40C, Fe-0.79C Fe-1.19C mass% with were considered. It is shown that tetragonality system increases linearly increasing in good agreement experimental results. average Fe atoms also content. At same time, located immediate vicinity less than pure iron, second coordination sphere, contrary, have more. this primarily due to magneto-volume effect, whereas effect tetragonal distortion lattice secondary. Keywords: computer simulation, Fe-C, moment, tetragonality, effect.