Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5457163 | Solid State Communications | 2017 | 5 Pages |
Abstract
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 µB. Elastic properties indicate that our compound is ductile, anisotropic and not too rigid.
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Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
S. Cherid, W. Benstaali, A. Abbad, S. Bentata, T. Lantri, B. Abbar,