Theoretical prediction of half metallic ferromagnetic full-Heusler alloys Cs2CrGe

被引：25

作者：

Cherid, S. ^{[1
]}

Benstaali, W. ^{[1
]}

Abbad, A. ^{[1
]}

Bentata, S. ^{[1
]}

Lantri, T. ^{[1
]}

Abbar, B. ^{[2
]}

机构：

[1] Abdelhamid Ibn Badis Univ, Fac Sci & Technol, Lab Technol & Solids Properties, BP 227, Mostaganem 27000, Algeria

[2] Djillali Liabes Univ Sidi Bel Abbes, Modelling & Simulat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria

来源：

SOLID STATE COMMUNICATIONS | 2017年 / 260卷

关键词：

Alloys; Full-heusler; Half metallicity; Elastic properties; AB-INITIO; 1ST-PRINCIPLES; GE;

D O I：

10.1016/j.ssc.2017.05.013

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural, electronic and elastic properties of full-Heusler alloys Cs2CrGe are examined in this study using FP-LAPW method based on density functional theory. Results of our calculations predict that the Hg2CuTi-type structure is more stable than the Cu2MnAl-type structure and that the ground state of this alloy is ferromagnetic. The band structure of Cs2CrGe shows half metallic behavior for the two approaches GGA and mBJ-GGA with an indirect band gap. The total magnetic moment calculated is in good agreement with the Slater-Pauling rule for full-Heusler alloys with an important magnetic moment equal to 4 mu(B). Elastic properties indicate that our compound is ductile, anisotropic and not too rigid.

引用

页码：14 / 18

页数：5

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