Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy |
| M. Mebreka, b, A. Mokaddemb, c, F. Bouasriad, B. Doumic, e, A. Mirf, A. Yakoubia, A. Boudalie
aLaboratoire d'Etude des Matériaux et Instrumentations Optiques, Département Matériaux et Développement Durable, Faculté des Sciences Exactes, Université Djillali Liabes de Sidi Bel-Abbès, Sidi Bel-Abbès 22000, Algeria bCentre Universitaire Nour Bachir El Bayadh, El Bayadh 32000, Algeria cLaboratoire d'Instrumentation et Matériaux Avancés, Centre Universitaire Nour Bachir El-Bayadh, BP 900 route Aflou, 32000 El Bayadh, Algeria dLaboratory of Knowledge Management and Complex Data, Dr. Tahar Moulay University of Saida, 20000 Saida, Algeria eFaculty of Sciences, Department of Physics, Dr. Tahar Moulay University of Saida, 20000 Saida, Algeria fFaculty of Physics, Department of Science and Technology, Relizane University Centre, 48000 Relizane, Algeria |
| Received: March 2, 2019; revised version July 29, 2019; in final form August 2, 2019 |
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| In this paper, we have investigated the structural, elastic, electronic, and magnetic properties of Rh2CrGe full-Heusler alloy in the regular type (Cu2MnAl, prototype L21) phase by using the first-principle methods of density functional theory with local spin-density approximation. We have found that Rh2CrGe is stable in the ferromagnetic configuration. This result is confirmed by the calculated cohesive energies. The stability criteria show that Rh2CrGe is mechanically stable in L21 structure. The spin-polarized electronic structures depicted a metallic character. The calculated total magnetic moment of 3.78 μB is not in agreement to the value of 4 μB of the Slater-Pauling rule. Therefore the Rh2CrGe full-Heusler alloy is metallic ferromagnet in nature. |
DOI:10.12693/APhysPolA.136.454 topics: Rh2CrGe, Heusler alloy, DFT, mechanical properties, electronic properties, magnetic moments |