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.
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页数：15
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