Magnetic and structural properties of all-D metal Mn-Ni-Ti Heusler alloys
Автор: Sokolovskiy V.V., Buchelnikov V.D., Cong D.
Рубрика: Физика
Статья в выпуске: 2 т.16, 2024 года.
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The paper presents a theoretical study of the effect of different atomic and magnetic orderings on the structural and magnetic properties of Mn2Ni1+xTi1-x alloys, which are composed entirely of transition metals. Using the density functional theory, we predict the structural ground states and magnetic reference states of compounds with x = 0, 0,25, 0,5, and 0,75 in both cubic austenite and tetragonal martensite phases. Partial substitution of Ti atoms with Ni leads to an increase in the energy barrier between structural phases, to a change from a layered atomic ordering to an alternating staggered order, and to a change from antiferromagnetic to ferromagnetic spin alignment in the cubic phase. All compounds with tetragonally distorted structures reveal the out-of-plane spin configuration and easy axis magnetocrystalline anisotropy except tetragonal L10 phase of Mn2NiTi. For the latter structure, easy-plane magnetic anisotropy is observed. The calculated values of anisotropy are comparable with those of tetragonal L10-FeNi.
Ab initio calculations, all-d metal heusler alloys, atomic arrangement, magnetocrystalline anisotropy
Короткий адрес: https://sciup.org/147243217
IDR: 147243217 | DOI: 10.14529/mmph240208
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