The effect of doping on magnetic properties of (Fe1−xMnx)2P1−ySiy series

In this paper we present results of ab initio calculations for the (Fe1−xMnx)2P1−ySiy series, where we investigate the effect of doping on magnetic properties of these materials. Such compounds, which belong to the Fe2P class of magnetocaloric materials are now extensively studied, due to their potential applications in magnetic cooling. In the hexagonal Fe2P-type structure, transition metals occupy two inequivalent Wyckoff positions: 3f and 3g. We have shown that the preference of occupation of one site by the particular transition metal leads to different dependence of magnetic properties with respect to the total doping effect.