The impurities effect on the electron structure and magnetic properties of iron .1. 2p and 3p impurities in the ferromagnetic fcc iron

The electronic structure and magnetic properties of 2p (B, C, N) and 3p (Al, Si, P) substitutional impurities in BCC iron were calculated by the self-consistent spin-polarized tight-binding - LMTO - recursion method. The calculations were performed both in the single-site approximation and with the account of potential perturbations on the four nearest to impurities shells of Fe atoms. The analysis of stability of impurity systems was performed on the basis of calculated changes of one-electron energies. The influence of impurities on the stability of magnetic structure of iron matrix was considered with the use of effective exchange interactions parameters.