An influence of the local environment on local magnetic moments and hyperfine fields in Fe3−xCrxSi

We present the results of ab initio calculations of Fe3Si substituted by chromium. An influence of the local environment on the distribution of hyperfine magnetic fields and spin-density distributions are discussed. Results of calculations confirmed that the presence of chromium atom in the nearest neighborhood causes strong decrease of the hyperfine field on iron as well decrease of magnetic moment of Fe in (A,C)- and B sites.