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

被引：23

作者：

Arshad, Hafsa ^{[1
]}

Zafar, M. ^{[2
]}

Ahmad, S. ^{[3
]}

Rizwan, M. ^{[1
]}

Khan, M., I ^{[1
]}

Gillani, S. S. A. ^{[4
]}

Cao, Chuan Bao ^{[5
]}

Shakil, M. ^{[1
]}

机构：

[1] Univ Gujrat, Funct Mat Res Grp, Dept Phys, Hafiz Hayat Campus, Gujrat 50700, Pakistan

[2] Govt Degree Coll Yazman, Dept Phys, Bahawalpur, Pakistan

[3] Islamia Univ Bahawalpur, Dept Phys, Bahawalpur 63100, Pakistan

[4] Univ Lahore, Dept Phys, Govt Coll, Lahore, Pakistan

[5] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China

来源：

MODERN PHYSICS LETTERS B | 2019年 / 33卷 / 31期

关键词：

Equiatomic quaternary Heusler alloys; half metals; exchange correlation potential; interatomic exchange interaction; spin polarization; HALF-METALLICITY; 1ST PRINCIPLE; FULL-HEUSLER; 1ST-PRINCIPLES; SERIES; Z=SI; AL;

D O I：

10.1142/S0217984919503895

中图分类号：

O59 [应用物理学];

学科分类号：

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 M-tot = N-v - 24, the total magnetic moments are calculated. The spin polarization and Curie temperature have also been calculated.

引用

页数：15

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