INFLUENCE OF SUBSTITUTIONAL (CR, MN, NI) AND INTERSTITIAL (C, N, O) IMPURITIES ON THE ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF ALPHA-FE BASED ALLOYS
Vg. Baryakhtar et al., INFLUENCE OF SUBSTITUTIONAL (CR, MN, NI) AND INTERSTITIAL (C, N, O) IMPURITIES ON THE ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF ALPHA-FE BASED ALLOYS, Journal of magnetism and magnetic materials, 144, 1995, pp. 115-116
The influence of interstitial and substitutional impurities on the ele
ctronic structure of alpha-Fe has been studied by X alpha-SW cluster c
alculations. It has been found that in iron alloys the chromium solute
is a trap for C and N atoms and not for an O atom. Local magnetic mom
ents of Fe and substitute atoms have been calculated.