| Autor: |
Elkhalifeh, J., Moussa, K., Zhang, X., Obaydatte, A. |
| Předmět: |
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| Zdroj: |
Journal of Superconductivity & Novel Magnetism; Dec2023, Vol. 36 Issue 10-12, p1939-1952, 14p |
| Abstrakt: |
The study focuses on investigating the half-metallic ferromagnetic (HMF) behavior in 4d transition metal (TM)–doped MgSe with a zinc-blende crystal structure. The calculations are performed using ab initio methods based on the KKR-CPA (Korringa-Kohn-Rostoker Coherent Potential Approximation) approach. Findings include lattice parameters, band structure, total and partial densities of states, magnetic moment, and Curie temperature of D-doped MgSe where D = Y, Zr, Nb, and Mo. The results show that all impurities except Y atoms added a magnetic moment to the systems. We also obtained a half-metallic character for Nb and Mo doping of MgSe. The most stable phase of magnetic compounds is the ferromagnetic phase, with a high Curie temperature (it reached 700 K). The results obtained from these calculations will provide insights into the half-metallic ferromagnetic (HMF) character, such as the presence of a band gap in one-spin channel and metallic behavior in the other, which makes this MgSe-based DMS a promising candidate for spintronics applications. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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