Magnetocaloric effect and magnetic ordering in GdFe_1-xT_xSi, T = Cr, V, Ni

The intermetallic compounds GdFe1-xCrxSi, x = 0-0.8, GdFe1-xVxSi, x = 0-0.4, and GdFe1-xNixSi, x = 0-0.4 with a tetragonal CeFeSi (P4/nmm) structure type have been synthesized. The Curie temperature, T-C, sharply increases from 130 K to 255 K and 250 K for the GdFe1-xCrxSi and GdFe1-xVxSi compounds and decreases to 104 K for GdFe1-xNixSi. Within the framework of the model of effective d-f exchange interaction in R3d intermetallics, these changes in T-C can be caused by the corresponding changes in the density of states. The electronic structure, magnetic moments and types of magnetic orderings of the GdFe1-xTxSi, T = Cr, V, Ni intermetallic compounds were calculated using the DFT+U theoretical method. For the GdFe1-xNixSi system, the transformation of a ferromagnet with the composition x = 0 into an antiferromagnet with the composition x = 0.3 was established experimentally and using first-principles calculations. The correlation of the ferromagnetic or antiferromagnetic type of the magnetic state in the GdFe1-xNixSi compounds with the value of the lattice parameter c to greater or less than the critical value c = 6.72 angstrom for the GdCoSi antiferromagnet has been experimentally established. The magnetic structures of the antiferromagnets GdFe0.7Ni0.3Si and GdCoSi were found to be different. GdFe0.7Ni0.3Si is characterized by a collapse in the magnetocaloric effect via a change in the isothermal magnetic entropy Delta S-M(T-C). The compounds GdFe0.4Cr0.6Si with -Delta S-M(T-C) = 2.37 J kg(-1) K-1 at T-C = 255 K and R-C = 82.07 J kg(-1) and GdFe0.7V0.3Si with -Delta S-M(T-C) = 2.06 J kg K-1 at T-C = 250 K and RC = 96.02 J kg(-1) in a field changing to 17 kOe could be of practical interest due to the T-C being close to room temperature.