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

doi:10.1142/S0217984919503895

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^*

^*Corresponding author for this work

School of Material Science and Engineering

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

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.

Original language	English
Article number	1950389
Journal	Modern Physics Letters B
Volume	33
Issue number	31
DOIs	https://doi.org/10.1142/S0217984919503895
Publication status	Published - 10 Nov 2019

Keywords

Equiatomic quaternary Heusler alloys
exchange correlation potential
half metals
interatomic exchange interaction
spin polarization

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10.1142/S0217984919503895

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

abstract = "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.",

keywords = "Equiatomic quaternary Heusler alloys, exchange correlation potential, half metals, interatomic exchange interaction, spin polarization",

author = "Hafsa Arshad and M. Zafar and S. Ahmad and M. Rizwan and Khan, {M. I.} and Gillani, {S. S.A.} and Cao, {Chuan Bao} and M. Shakil",

note = "Publisher Copyright: {\textcopyright} 2019 World Scientific Publishing Company.",

year = "2019",

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doi = "10.1142/S0217984919503895",

language = "English",

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T1 - Theoretical study of structural, electronic and magnetic properties of equiatomic quaternary CoPdCrZ (Z = Si, Ge, P) Heusler alloys

AU - Arshad, Hafsa

AU - Zafar, M.

AU - Ahmad, S.

AU - Rizwan, M.

AU - Khan, M. I.

AU - Gillani, S. S.A.

AU - Cao, Chuan Bao

AU - Shakil, M.

PY - 2019/11/10

Y1 - 2019/11/10

N2 - 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.

AB - 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.

KW - Equiatomic quaternary Heusler alloys

KW - exchange correlation potential

KW - half metals

KW - interatomic exchange interaction

KW - spin polarization

UR - http://www.scopus.com/inward/record.url?scp=85072958691&partnerID=8YFLogxK

U2 - 10.1142/S0217984919503895

DO - 10.1142/S0217984919503895

M3 - Article

AN - SCOPUS:85072958691

SN - 0217-9849

VL - 33

JO - Modern Physics Letters B

JF - Modern Physics Letters B

IS - 31

M1 - 1950389

ER -

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

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Keywords

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