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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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Abstract

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.

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Acknowledgements

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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Authors and Affiliations

  1. Department of Physics, Mohanlal Sukhadia University, Udaipur, Rajasthan, 313001, India

    Rakesh Jain, Vivek Kumar Jain, Aarti R. Chandra & N. Lakshmi

  2. Department of Physics, Geetanjali Institute of Technical Studies, Udaipur, Rajasthan, 302132, India

    Vishal Jain

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  1. Rakesh Jain
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  2. Vivek Kumar Jain
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  3. Aarti R. Chandra
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  4. Vishal Jain
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  5. N. Lakshmi
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Correspondence to N. Lakshmi.

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Jain, R., Jain, V.K., Chandra, A.R. et al. 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. J Supercond Nov Magn 31, 2399–2409 (2018). https://doi.org/10.1007/s10948-017-4460-3

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  • DOI: https://doi.org/10.1007/s10948-017-4460-3

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