Abstract

By simulating the structural, electronic, and magnetic properties of the QuateryCoFeTiAs Heusler compound, we presented a theoretical investigation in this work The calculations were performed using the generalized gradient (GGA) approximation and the WIEN2k code's application of the augmented plane wave method (FP-LAPW)which is based on density functional formalism (DFT). The results are consistent with important theoretical calculations.Our results showed that this compound conforms with the (Slater-Pauling) Mtot = (ZT - 24) μB rule and is a half-metallic material.

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