Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys
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Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation functions. Values of formation energy and elastic constants verify the stability of these alloys. True half metallic ferromagnetic behaviour with 100% spin polarization and good band gap in the minority spin are obtained for all the alloys. Magnetic moment of these alloys is 4.00 μ B , which matches well with the value predicted from Slater-Pauling rule. Half-metallicity is maintained over a wide range of lattice constants making these alloys promising for spintronics device applications.
KeywordsHeusler alloy Electronic structure Half metallicity Spintronics Magnetism
This work is supported by UGC-DSA and DST-FIST schemes of the Department of physics, M L Sukhadia University, Udaipur. Rakesh Jain and Vivek Kumar Jain acknowledge support from UGC-BSR fellowship scheme and Aarti acknowledges support from SERB-DST EMR scheme.
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