Abstract
Heusler compounds are found to be propitious candidates for several spintronics applications. Here we investigate the structural, electronic and magnetic properties of CoFeTiSb and CoMnCrSi, quaternary Heusler (LiMgPdSn-type) compounds, using Tight Binding Linear Muffin-Tin Orbital within Atomic Sphere Approximation (TB-LMTO-ASA) technique based on the first principles density functional theory (DFT). We optimize and evaluate the lattice parameters of CoFeTiSb and CoMnCrSi. We also present the results that show the half-metallic and spin-gapless semiconducting nature of CoFeTiSb and CoMnCrSi, respectively. In addition, we calculate the magnetic moment of these compounds which almost follow the Slater-Pauling rule. Finally, we demonstrate the hartree potential, charge distribution, and charge density of these compounds. It is anticipated that these results will enhance the use of TB-LMTO-ASA technique in the study of other Heusler compounds and their properties in future.
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