First-Principle Study of Structural, Elastic, Electronic and Magnetic Properties of the Quaternary Heusler CoZrFeP

被引：6

作者：

Belbachir, Souheil ^{[1
,2
]}

Abbes, C. ^{[1
,3
]}

Belkaid, M. N. ^{[2
]}

Belbachir, Ahmed H. ^{[2
]}

机构：

[1] Univ Abdelhamid Ibn Badis, Fac Sci Exactes & Informat, Dept Phys, Mostaganem, Algeria

[2] USTO, Fac Phys, Dept Genie Phys, Lab Anal & Applicat Rayonnements, BP 1505 El Mnaouer, Oran 31000, Algeria

[3] Univ Abdelhamid Ibn Badis Mostaganem, Fac Sci & technol, Dept Genie Elect, Lab Elaborat & Caracterisat Physmecan & Met Mat E, Mostaganem, Algeria

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2020年 / 33卷 / 10期

关键词：

Quaternary Heusler compound; First-principle calculations; Half-metallic properties; GENERALIZED GRADIENT APPROXIMATION; TEMPERATURE; CONSTANTS; SOLIDS; GA; GE; AL; SI;

D O I：

10.1007/s10948-020-05598-9

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Many studies nowadays are available to predict the half-metallic behaviour of Heusler's quaternary compounds. Using the first principle study of the quaternary Heusler CoZrFeP, we examined its structural, electronic and magnetic properties with the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) and the generalized modified potential plus Becke-Johnson approximation (GGA-mBJ). Our quaternary Heusler CoZrFeP compound has shown a half-metallic ferromagnetism character with a small band gap in the minority spin which makes it an excellent candidate for the development of new devices in spintronic and magnetoelectronic. In order to know whether our Heusler quaternary CoZrFeP compound can be experimentally synthesized, we studied its mechanical stability by calculating its formation energy, cohesion energy and elastic constants.

引用

页码：2899 / 2905

页数：7

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