Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8156755 | Journal of Magnetism and Magnetic Materials | 2014 | 6 Pages |
Abstract
We report full potential treatment of electronic and magnetic properties of Cr2âxFexCoZ (Z=Al, Si) Heusler alloys where x=0.0, 0.25, 0.5, 0.75 and 1.0, based on density functional theory (DFT). Both parent alloys (Cr2CoAl and Cr2CoSi) are not half-metallic frromagnets. The gradual replacement of one Cr sublattice with Fe induces the half-metallicity in these systems, resulting maximum spin polarization. The half-metallicity starts to appear in Cr2âxFexCoAl and Cr2âxFexCoSi with x=0.50 and x=0.25, respectively, and the values of minority-spin gap and half-metallic gap or spin-flip gap increase with further increase of x. These gaps are found to be maximum for x=1.0 for both cases. An excellent agreement between the structural properties of CoFeCrAl with available experimental study is obtained. The Fermi level tuning by Fe-doping makes these alloys highly spin polarized and thus these can be used as promising candidates for spin valves and magnetic tunnelling junction applications.
Related Topics
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Authors
Mukhtiyar Singh, Hardev S. Saini, Jyoti Thakur, Ali H. Reshak, Manish K. Kashyap,