THE ELECTRONIC AND MAGNETIC-STRUCTURE OF THE Y(FEV)(12) COMPOUND AND ITS CARBIDES

The electronic and magnetic properties of body-centred-tetragonal YFe8 V4 carbon doped compounds have been analysed theoretically. The electr onic structure was determined by a TB-LMTO-ASA method within the scala r-relativistic approximation. The crystal structure and lattice consta nt parameters were taken from experiment. The total and partial densit ies of states, and the magnetic moments for YFe12, YFe8V4, YFe8V4C and YFe8V3C compounds were calculated and discussed. In the calculations the unit volume for the carbides was assumed to be smaller than that f or the parent YFe8V4 compounds; nevertheless, an increase in total mag netic moment for the compounds with carbon atoms in the positions 4(d) and 8(i) was observed.