Theoretical study of structural, electronic and magnetic properties of equiatomic quaternary CoPdCrZ (Z = Si, Ge, P) Heusler alloys

Hafsa Arshad, M. Zafar, S. Ahmad, M. Rizwan, M. I. Khan, S. S.A. Gillani, Chuan Bao Cao, M. Shakil*

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摘要

In this study, the structural, electronic and magnetic properties of Co-based equiatomic quaternary Heusler alloys (EQHA) CoPdCrZ (Z = Si, Ge, P) are investigated by full potential linearized augmented plane wave (FP-LAPW) method. Three different configurations are employed to find out the most stable structure by structural optimization process. The alloys CoPdCrSi and CoPdCrGe are found to be stable in Type-II structure while CoPdCrP is in Type-I. The calculated electronic and magnetic properties show that CoPdCrSi and CoPdCrGe are nearly half metals while CoPdCrP is a ferromagnetic alloy. By following the Slater-Pauling rule Mtot = Nv - 24, the total magnetic moments are calculated. The spin polarization and Curie temperature have also been calculated.

源语言英语
文章编号1950389
期刊Modern Physics Letters B
33
31
DOI
出版状态已出版 - 10 11月 2019

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Arshad, H., Zafar, M., Ahmad, S., Rizwan, M., Khan, M. I., Gillani, S. S. A., Cao, C. B., & Shakil, M. (2019). Theoretical study of structural, electronic and magnetic properties of equiatomic quaternary CoPdCrZ (Z = Si, Ge, P) Heusler alloys. Modern Physics Letters B, 33(31), 文章 1950389. https://doi.org/10.1142/S0217984919503895