Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni2Mn(Ge,Sn) and Mn2NiGe

Asli, Naima and Dahmane, Fethallah and Mokhtari, Mohamed and Zouaneb, Chahrazed and Batouche, Mohammed and Khachai, Houari and Srivastava, Vipul and Naqib, Saleh Hasan and Al-Douri, Yarub and Bouhemadou, Abdelmadjid and Khenata, Rabah (2021) Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni2Mn(Ge,Sn) and Mn2NiGe. Zeitschrift fur Naturforschung Section A-A Journal of Physical Sciences, 76 (8). pp. 693-702. ISSN 0932-0784, DOI https://doi.org/10.1515/zna-2020-0329.

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Abstract

Mn-Ni based full-Heusler alloys belong to novel half-metallic compounds with a promising set of physical properties for applications as functional materials. Based on first principles calculations, the electronic structures, the magnetic and mechanical properties of Ni2Mn(Ge,Sn) and Mn2NiGe full-Heusler alloys have been investigated in detail. The results revealed that the Mn2NiGe with Hg2CuTi type structure is more stable; on the other hand, for Ni2Mn(Ge,Sn), the Cu2MnAl type structure is more stable. The Mn2NiGe alloys are found to be half-metallic with an integer value of total magnetic moment of 4 mu B which makes them interesting materials in the field of spintronics. The Ni2Mn(Ge,Sn) alloys exhibitmetallic character in both Hg2CuTi and Cu2MnAl type structures. The calculated B/G ratios for all the considered compounds Ni2Mn(Ge,Sn) and Mn2NiGe are greater than 1.75; therefore, these alloys are ductile, and the calculated Cauchy's pressure is positive, whichalso classified these compounds as ductile materials.

Item Type: Article
Funders: General Direction of Scientific Research and Technological Development (DGRSDT)
Uncontrolled Keywords: Electrical properties;First-principles calculations;Heusler alloy;Magnetic properties
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Deputy Vice Chancellor (Research & Innovation) Office > Nanotechnology & Catalysis Research Centre
Depositing User: Ms Zaharah Ramly
Date Deposited: 15 Sep 2022 05:56
Last Modified: 15 Sep 2022 05:56
URI: http://eprints.um.edu.my/id/eprint/34419

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