First principle electronic, magnetic and thermodynamic characterization of heavy fermion ternary rare earth metal alloys


Ternary rare earth metal alloys (viz. GdInZn, GdTlZn and GdInCd) play a key role in a large range of current research areas, in particular those devoted to heavy fermions, valence fluctuations, magneto-strictive materials, permanent-magnet materials, spin glasses and random anisotropy systems. Thus, to understand the relevant complex behavior of Gd/M/M¹, M=In, Tl; M¹ = Zn, Cd compounds (viz. GdInZn, GdInCd and GdTlZn), in the present research article, we have been carried out the theoretical investigations on electronic, magnetic and thermodynamic characteristics of Gd/M/M¹ type compounds in the hexagonal P63/mmc phase using density functional theory (DFT).