<i>Ab initio</i>
            study of electronic structure and magnetic properties of CoMnTaZ (Z = Si, Ge) quaternary Heusler compounds

Attallah, Mourad; Ibrir, Miloud; Berri, Saadi; Lakel, Saïd

doi:10.1002/pssc.201700127

Phys. Status Solidi C

2017

DOI: 10.1002/pssc.201700127

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Ab initio study of electronic structure and magnetic properties of CoMnTaZ (Z = Si, Ge) quaternary Heusler compounds

Mourad Attallah

Miloud Ibrir²,

Saadi Berri

et al.

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Cited by 3 publications

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“…Quaternary Heusler alloys are generated by substituting one of the two X atoms in full-Heusler alloys with a different TM atom (X ) and crystallizing in a Hg 2 CuTi-type structure [23]. These alloys exhibit LiMgPdSn-type structure which has three possible nonequivalent atomic configurations [24][25][26].…”

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confidence: 99%

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Wu¹,

Zheng²,

Si³

et al. 2021

EPL

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In this study, we have systematically investigated the electronic structures, magnetic and elastic properties of the full-Heusler compounds Cr2-x Fe x MnSi ( , 1, and 2) by density functional theory calculations using the CASTEP with the generalized gradient approximation for the exchange-correlation functional. Our calculation results show that the Cr2MnSi, CrFeMnSi and Fe2MnSi alloys exhibit excellent half-metallic materials, and half-metallic band gap will be larger as the number of Fe atoms increases. The magnetism originates from the spin contribution of Cr-, Fe- and Mn-d orbital electrons and the strong hybridization between them. The total magnetic moment of Cr2-x Fe x MnSi ( , 1, and 2) remains an integer value when the lattice parameter is changed within a narrow range, and the range will be larger as the number of Fe atoms increases. Investigation of elastic properties shows that the Cr2-x Fe x MnSi ( , 1, and 2) alloys are ductile and anisotropic materials.

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mentioning

confidence: 99%

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Wu¹,

Zheng²,

Si³

et al. 2021

EPL

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Electronic structures, magnetic properties and strain effects of quaternary Heusler alloys FeMnCrZ (Z = P, As, Sb, Bi, Se, Te)

Wang

Xia

2019

Journal of Magnetism and Magnetic Materials

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The Structural, Mechanical, Half-Metallic, and Magnetic Properties of Quaternary Heusler Alloy CrFeVAl: A First-Principles Study

Zheng²,

Gao

et al. 2023

J. Phys. Soc. Jpn.

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Ab initio study of electronic structure and magnetic properties of CoMnTaZ (Z = Si, Ge) quaternary Heusler compounds

Cited by 3 publications

References 70 publications

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Electronic structures, magnetic properties and strain effects of quaternary Heusler alloys FeMnCrZ (Z = P, As, Sb, Bi, Se, Te)

The Structural, Mechanical, Half-Metallic, and Magnetic Properties of Quaternary Heusler Alloy CrFeVAl: A First-Principles Study

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Ab initio study of electronic structure and magnetic properties of CoMnTaZ (Z = Si, Ge) quaternary Heusler compounds

Cited by 3 publications

References 70 publications

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr2-xFexMnSi (x=0, 1, and 2)

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr2-xFexMnSi (x=0, 1, and 2)

Electronic structures, magnetic properties and strain effects of quaternary Heusler alloys FeMnCrZ (Z = P, As, Sb, Bi, Se, Te)

The Structural, Mechanical, Half-Metallic, and Magnetic Properties of Quaternary Heusler Alloy CrFeVAl: A First-Principles Study

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Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Electronic structure, magnetic properties, and elastic properties of full-Heusler alloys Cr_2-xFe_xMnSi (x=0, 1, and 2)

Electronic structures, magnetic properties and strain effects of quaternary Heusler alloys FeMnCrZ (Z = P, As, Sb, Bi, Se, Te)