Mater.Phys.Mech.(MPM)
No 1, Vol. 42, 2019, pages 112-130

FIRST PRINCIPLE ELECTRONIC, MAGNETIC AND THERMODYNAMIC CHARACTERIZATION
OF HEAVY FERMION TERNARY RARE EARTH METAL ALLOYS

Aman Kumar, Rahul Guatam, Satish Chand, Anuj Kumar, R.P. Singh

Abstract

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).

Keywords: structural properties, electronic structure, magnetic properties, thermodynamic properties

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