First principles study of interactions of oxygen–carbon

First principles study of interactions of oxygen–carbon–vacancy in bcc Fe

You Yuan^{1, †}, Yan Mu-Fu², Yan Ji-Hong³, Sun Gang¹, Wang Chao¹

Possible configurations of a vacancy in a bcc Fe cell with n (n = 1, 2, …, 6) FIAs (FIA refers to C or O).