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Автор: search.filters.author.N. A. MeraliТема: search.filters.subject.lattice parameters

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    СТРУКТУРНЫЕ, ЭЛЕКТРОННЫЕ И МАГНИТНЫЕ СВОЙСТВАM n2CoZ(Al/Ga) ПРИ ЛЕГИРОВАНИИ ВАНАДИЕМ
    (2021-11-01)
    Абуова Фатима
    ;
    Г. A. Қаптағай
    ;
    Абуова Айсулу
    ;
    Талгат Муратович Инербаев
    ;
    N. A. Merali
    Annotation In this paper, we investigate the structural, electronic, and magnetic properties of Mn2Co1-x VxZ Heysler alloys (Z = Ga, Al, and x = 0, 0.25, 0.5, 0.75, 1). It was found that as the vanadium concentration increases, the lattice parameters increase linearly. The Mn2CoGa and Mn2VGa compounds have a magnetization of 2.00 and 2.01 µB/f. u., respectively. Almost complete compensation of the magnetic moment was achieved for the Mn2Co1-x VxZ alloy (Z = Ga, Al) at x=0.5. This effect is explained by the ferrimagnetic ordering of the magnetic moments of Mn, V and Co ions. The substitution effect leads to a narrowing of the band gap for electronic states with spin down as 0≤ x≤ 0.5 increases. Further growth of x leads to a broadening of the band gap. When the magnetic moment is fully compensated in the studied systems (x=0.5), a region of reduced density of electronic states near the Fermi level is formed for electron states with spin down.
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    Structural, Electronic and Magnetic Properties of Mn2Co1-xVxZ (Z = Ga, Al) Heusler Alloys: An Insight from DFT Study
    (Multidisciplinary Digital Publishing Institute, 2021-12-08)
    Fatima U. Abuova
    ;
    Талгат Муратович Инербаев
    ;
    Aisulu U. Abuova
    ;
    N. A. Merali
    ;
    Nurgul S. Soltanbek
    Structural, electronic, and magnetic properties of Mn2Co1-xVxZ (Z = Ga, Al, x = 0, 0.25, 0.5, 0.75, 1) Heusler alloys were theoretically investigated for the case of L21 (space group Fm3¯m), L21b (L21 structure with partial disordering between Co and Mn atoms) and XA (space group F4¯3m) structures. It was found that the XA structure is more stable at low V concentrations, while the L21 structure is energetically favorable at high V concentrations. A transition from L21 to XA ordering occurs near x = 0.5, which qualitatively agrees with the experimental results. Comparison of the energies of the L21b and XA structures leads to the fact that the phase transition between these structures occurs at x = 0.25, which is in excellent agreement with the experimental data. The lattice parameters linearly change as x grows. For the L21 structure, a slight decrease in the lattice constant a was observed, while for the XA structure, an increase in a was found. The experimentally observed nonlinear behavior of the lattice parameters with a change in the V content is most likely a manifestation of the presence of a mixture of phases. Almost complete compensation of the magnetic moment was achieved for the Mn2Co1-xVxZ alloy (Z = Ga, Al) at x = 0.5 for XA ordering. In the case of the L21 ordering, it is necessary to consider a partial disorder of atoms in the Mn and Co sublattices in order to achieve compensation of the magnetic moment.
    Цитирования (OpenAlex) 13Цитирования (OpenCitations) 10