Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study

Draganyuk, Oksana N.; Zhandun, V. S.; Zamkova, N. G.

doi:10.1016/j.matchemphys.2021.124897

Cited by 12 publications

(8 citation statements)

References 25 publications

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“…(ferrimagnetic order, half-metallicity) and relatively large and antiparallel Mn moments at sites A and B. Experimentally, this alloy has so far been prepared only in the form of ingots and thin films [21,24]. However, observed antiferromagnetic behavior at low temperatures contradicts theoretical calculations and refers to the need for further detailed research [25]. This paper is focused on the Mn 2 FeSi alloy prepared by mechanical alloying into a powder form and on its detail structural and physical characterization.…”

Section: Introductionmentioning

confidence: 97%

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

et al. 2022

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Ternary Mn2FeSi alloy was synthesized from pure elemental powders by mechanical alloying, using a high-energy planetary ball mill. The formation of an inverse-Heusler phase after 168 h of milling and subsequent annealing at 1173 K for 1.5 h was confirmed by X-ray diffraction. The diffractogram analysis yielded XA structure and the lattice parameter 0.5677 nm in a good agreement with the theoretically obtained value of 0.560 nm. The final powder was formed by particles of irregular shape and median diameter D50 of 3.8 μm and their agglomerates. The chemical analysis resulted in the mean composition of 49.0 at.% Mn, 25.6 at.% Fe and 25.4 at.% Si. At room temperature, the prepared samples featured a heterogeneous magnetic structure consisting of dominant paramagnetic phase confirmed by Mössbauer spectrometry and a weak ferro-/ferrimagnetic contribution detected by magnetization curves. From the field-cooled and zero-field-cooled curves the Néel temperature of 67 K was determined.

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Section: Introductionmentioning

confidence: 97%

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

et al. 2022

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“…Vertical three-layer hybrid ferromagnet (FM)/semiconductor (SC)/FM structures combine both approaches and can be promising for both vertical and planar semiconductor spintronics devices [ 4 , 5 ]. Still, great attention of researchers is paid to Heusler alloys [ 6 , 7 , 8 , 9 , 10 ] due to their high spin polarization of conduction electrons, such as Fe 3+ x Si 1− x , Co 2 FeSi, Fe 2 MnSi, and Co 2 FeAl. They have a cubic crystal structure and can be relatively easily grown on standard semiconductor substrates such as Si [ 11 ], Ge [ 12 ], GaAs [ 13 ].…”

Section: Introductionmentioning

confidence: 99%

Asymmetric Interfaces in Epitaxial Off-Stoichiometric Fe3+xSi1−x/Ge/Fe3+xSi1−x Hybrid Structures: Effect on Magnetic and Electric Transport Properties

et al. 2021

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Three-layer iron-rich Fe3+xSi1−x/Ge/Fe3+xSi1−x (0.2 < x < 0.64) heterostructures on a Si(111) surface with Ge thicknesses of 4 nm and 7 nm were grown by molecular beam epitaxy. Systematic studies of the structural and morphological properties of the synthesized samples have shown that an increase in the Ge thickness causes a prolonged atomic diffusion through the interfaces, which significantly increases the lattice misfits in the Ge/Fe3+xSi1−x heterosystem due to the incorporation of Ge atoms into the Fe3+xSi1−x bottom layer. The resultant lowering of the total free energy caused by the development of the surface roughness results in a transition from an epitaxial to a polycrystalline growth of the upper Fe3+xSi1−x. The average lattice distortion and residual stress of the upper Fe3+xSi1−x were determined by electron diffraction and theoretical calculations to be equivalent to 0.2 GPa for the upper epitaxial layer with a volume misfit of −0.63% compared with a undistorted counterpart. The volume misfit follows the resultant interatomic misfit of |0.42|% with the bottom Ge layer, independently determined by atomic force microscopy. The variation in structural order and morphology significantly changes the magnetic properties of the upper Fe3+xSi1−x layer and leads to a subtle effect on the transport properties of the Ge layer. Both hysteresis loops and FMR spectra differ for the structures with 4 nm and 7 nm Ge layers. The FMR spectra exhibit two distinct absorption lines corresponding to two layers of ferromagnetic Fe3+xSi1−x films. At the same time, a third FMR line appears in the sample with the thicker Ge. The angular dependences of the resonance field of the FMR spectra measured in the plane of the film have a pronounced easy-axis type anisotropy, as well as an anisotropy corresponding to the cubic crystal symmetry of Fe3+xSi1−x, which implies the epitaxial orientation relationship of Fe3+xSi1−x (111)[0−11] || Ge(111)[1−10] || Fe3+xSi1−x (111)[0−11] || Si(111)[1−10]. Calculated from ferromagnetic resonance (FMR) data saturation magnetization exceeds 1000 kA/m. The temperature dependence of the electrical resistivity of a Ge layer with thicknesses of 4 nm and 7 nm is of semiconducting type, which is, however, determined by different transport mechanisms.

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“…Mn 2 FeSi alloy has a cubic inverse-Heusler structure, as found from recent studies. 13,24 The Mn 2 FeSi alloy, possessing an inverse Heusler structure, is found to exhibit halfmetallicity and a total magnetic moment of 2μ B according to DFT calculations. 24,25 Thus, depending on the chemical composition, Heusler compounds containing transition metals may exhibit specific features, e.g., half-metallicity, as in L2 1 and XA structures.…”

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confidence: 99%

“…13,24 The Mn 2 FeSi alloy, possessing an inverse Heusler structure, is found to exhibit halfmetallicity and a total magnetic moment of 2μ B according to DFT calculations. 24,25 Thus, depending on the chemical composition, Heusler compounds containing transition metals may exhibit specific features, e.g., half-metallicity, as in L2 1 and XA structures. As a result, comparing the characteristics of regular and inverse Heusler alloys is of much interest.…”

mentioning

confidence: 99%

“…As a result, comparing the characteristics of regular and inverse Heusler alloys is of much interest. 24 The earlier studies in the field stimulated interest in Mn 2 FeSi alloy, and reports from these studies discuss experimental characterization of the alloy, which revealed Mn 2 FeSi to be a ferrimagnetic alloy with an inverse-Heusler structure. 26 In contrast, the main results from our studies confirm that Mn 2 FeSi alloy is an antiferromagnetic-Heusler alloy, which stabilizes to a full-Heusler structure rather than the inverse-Heusler structure.…”

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confidence: 99%

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Microstructural and Magnetic Property Investigations into Antiferromagnetic Mn₂FeSi Heusler Alloy for Spintronics Applications

Jayashire,

Sampath,

Karthik

et al. 2023

ECS J. Solid State Sci. Technol.

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Magnetic materials, possessing low magnetic moment and high spin-polarization capability, are much in demand for spintronics applications. In this work, a ternary Mn2FeSi Heusler alloy was prepared by vacuum arc remelting technique followed by annealing it in vacuum at 773 K for 120 h. The crystal structure, chemical composition, and magnetic properties of the alloy annealed at optimum conditions were studied and proved using relevant experimental techniques. The X-ray diffraction analysis revealed the formation of the Heusler phase with a simple cubic structure with a = 5.63 Å in the alloy. This value matches well with that theoretically predicted. The chemical composition analysis of the sample shows that it is highly homogeneous and being closer to nominal. The Curie-Weiss equation was used to fit the thermomagnetic data and the paramagnetic Curie temperature (θP) calculated, point to the occurrence in the alloy of the antiferromagnetic ordering of spins at low temperature. The magnetic measurements of the alloy showed its antiferromagnetic transformation (TN) at 64.5 K. This study demonstrates that Mn2FeSi Heusler phase may be explored as a low magnetic moment material for spintronics applications.

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Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study

Cited by 12 publications

References 25 publications

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

Asymmetric Interfaces in Epitaxial Off-Stoichiometric Fe3+xSi1−x/Ge/Fe3+xSi1−x Hybrid Structures: Effect on Magnetic and Electric Transport Properties

Microstructural and Magnetic Property Investigations into Antiferromagnetic Mn₂FeSi Heusler Alloy for Spintronics Applications

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Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study

Cited by 12 publications

References 25 publications

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

Structural and Magnetic Properties of Inverse-Heusler Mn2FeSi Alloy Powder Prepared by Ball Milling

Asymmetric Interfaces in Epitaxial Off-Stoichiometric Fe3+xSi1−x/Ge/Fe3+xSi1−x Hybrid Structures: Effect on Magnetic and Electric Transport Properties

Microstructural and Magnetic Property Investigations into Antiferromagnetic Mn2FeSi Heusler Alloy for Spintronics Applications

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Microstructural and Magnetic Property Investigations into Antiferromagnetic Mn₂FeSi Heusler Alloy for Spintronics Applications