In this work, half-Heusler ZrCrPb alloy was studied utilizing the Full Potential Linear Augmented Plane Wave (FP-LAPW) method as implemented in the WIEN2k code in the context of Density Functional Theory (DFT). The goal of this research was to investigate the electronic, magnetic and optical properties of the half-Heusler alloy. For our study, we employ the Perdew-Burke-Ernzerhof (PBE) exchange-correlation potential for solving Kohn-Sham equation. The electronic band structures show that there is a band gap of 1.098 eV in up spin state and no band gap in down spin state of the computed alloy, which demonstrates the half metallic nature of the alloy ZrCrPb. The total magnetic moment is found to be around 4 μB, indicating that the alloy is ferromagnetic. The alloy’s overall electrical and optical characteristics support its use in electromagnetic applications.

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