Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni2Mn(Ge,Sn) and Mn2NiGe
Document Type
Article
Publication Date
8-1-2021
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.
Keywords
Electrical properties, First-principles calculations, Heusler alloy, Magnetic properties
Divisions
nanotechnology
Funders
General Direction of Scientific Research and Technological Development (DGRSDT)
Publication Title
Zeitschrift fur Naturforschung Section A-A Journal of Physical Sciences
Volume
76
Issue
8
Publisher
Walter de Gruyter GMBH
Publisher Location
GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY