Affiliation:
1. Laboratory of Theory and Simulation of Materials, Faculty of Exact and Applied Sciences, University of Oran1 Ahmed Ben Bella, Oran, Algeria
2. Laboratory of Applied Hydrology and Environment, University Belhadj Bouchaib Ain-Temouchent, Algeria
Abstract
The electronic and magnetic properties of Be[Formula: see text](Gd,Eu,Tb)[Formula: see text]O (with [Formula: see text] values of 0.125, 0.25, and 0.375) were systematically investigated using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). Exchange and correlation potentials were computed employing the generalized gradient approximation (GGA) and GGA plus-modified Becke–Johnson potential (TB-mBJ) approximations. Our findings demonstrate that the incorporation of X into BeO induces magnetism in the compound. Specifically, BeO doped with Gd, Eu, and Tb at [Formula: see text], and 0.375 exhibits half-metallic behavior, characterized by integer magnetic moments. These results indicate the potential of these compounds to serve as novel half-metallic materials for future spintronics applications, offering exciting prospects in the field.
Publisher
World Scientific Pub Co Pte Ltd