Magnetic intermetallic compounds based on rare earth elements and 3d transition metals are widely investigated due to the functionality of their physical properties and their variety of possible applications. In this work, we investigated the features of the electronic structure and magnetic properties of ternary intermetallic compounds based on gadolinium GdMn1-xTixSi, in the framework of the DFT + U method. Analysis of the densities of electronic states and magnetic moments of ions in Ti-doped GdMnSi showed a significant change in the magnetic properties depending on the contents of Mn and Ti. Together with the magnetic moment, an increase in the density of electronic states at the Fermi energy was found in almost all GdMn1-xTixSi compositions, which may indicate a significant change in the transport properties of intermetallic compounds. Together with the expected Curie temperatures above 300 K, the revealed changes in the magnetic characteristics and electronic structure make the GdMn1-xTixSi intermetallic system promising for use in microelectronic applications.
The search for new magnetocaloric materials for application in magnetic refrigerants is highly motivated by high efficiency, reliability, and environmental safety. The values of the magnetocaloric effect MCE and the refrigerant capacity RC for the equiatomic GdRuSi compound were determined to be MCE = 10.7 and 4.94 J/kgK and RC = 336 and 92 J/kg with a change in the field of 0–50 and 0–17 kOe, respectively. These high values of MCE and RC for GdRuSi appear in the region of nitrogen liquefaction temperature of 77.4 K, due to which the compound can be useful in practice. The densities of states and magnetic moments of GdRuSi were calculated theoretically, taking into account strong electron correlations in the 4f Gd shell. The total magnetic moment of GdRuSi was found to be composed of the Gd moment only with the value calculated in very good agreement with the experimental one.
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