The electronic and magnetic proprieties of the rare earth-based quaternary Heusler compound LuCoVGe

This manuscript reports the theoretical results on the magnetic and electronic properties of the new rare-earth element based LuCoVGe equiatomic quaternary Heusler (EQH). To investigate the magnetic and electronic properties of this compound, we used the both Methods: The first-principles calculations using Quantum Espresso and the Monte Carlo simulations (MCS). The good properties of LuCoVGe alloys that is, large half-metallic gaps and 100% spin polarization fulfill the requirements of the candidate materials for diverse applications especially in spintronics. A clear behavior of half-metallicity appearing in the First principles calculations when to investigate the density of states (DOS) and band structure of the Heusler compound LuCoVGe. On the other hand, for non-null temperature values, the behavior of the total magnetizations are presented as a function of the temperature, exchange coupling interactions, crystal field and the external magnetic field. Finally, we outlined and talked about the hysteresis loops as a function of the external magnetic field, when settling the values of the examined physical parameters. •The Heusler LuCoVGe is studied.•DFT and Monte Carlo simulations are used.•The hysteresis loops are presented.