Ab-initio Study of the Structural, Electronic, and Magnetic Properties of Full-Heusler Alloy Co₂TiSi
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Abstract
This study employs the full-potential linearized augmented plane wave (FP-LAPW) approach within the framework of density functional theory (DFT) to analyze the structural, electronic, and magnetic properties of the Co₂TiSi alloy. Utilizing the generalized gradient approximation (GGA), the research highlights the alloy's structural stability, its energy gap in the magnetic state, and the substantial magnetic moment influenced by the crystal structure and lattice parameters. These outcomes suggest Co₂TiSi as a potential material for spintronic applications, laying a theoretical foundation for future experimental validation.
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References
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