New Half Metal Perovskite NbScO3 for Spintronic Sensing Applications

نویسندگان

چکیده

Half-metallic ferromagnetic (HMF) materials demonstrate 100% spin polarization at the Fermi level, making them promising candidates for spintronic sensing applications. In this work, full potential linearized augmented plane wave (FP-LAPW) density functional theory (DFT) method is used to calculate electro-magnetic properties of transition metal perovskite NbScO3 using generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) exchange correlations. The electronic band structures two orientations GGA, predict be an HMF with integer magnetic moment 2.0 μB hence a candidate spintronics. new half shows metallic behavior in majority semiconducting minority channel direct Γ−Γ gap 1.870 eV. also preserved mBJ potential. structure, however, indirect gaps R−Γ X−Γ 2.023 eV 0.780 channels, respectively indicating semiconductor. results indicate suitability spintronics as necessary conditions are satisfied.

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ژورنال

عنوان ژورنال: Chemistry proceedings

سال: 2021

ISSN: ['2673-4583']

DOI: https://doi.org/10.3390/csac2021-10628