Bibliographies thématiques / Non-stoichiometric Full Heusler Alloys

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Publié le 7 septembre 2023

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Articles de revues sur le sujet "Non-stoichiometric Full Heusler Alloys"

Govind, Bal, Purnima Bharti, Sahiba Bano, Ashish Kumar, Satyendra Singh et V. P. S. Awana. « Disorder Induced Magnetic Behavior of Non-Stoichiometric Co0.75Mn0.5Fe0.75Si Full-Heusler Alloy ». Journal of Superconductivity and Novel Magnetism 35, n^o 2 (7 novembre 2021) : 445–53. http://dx.doi.org/10.1007/s10948-021-06076-6.

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Lukoyanov, Alexey V., Elena I. Shreder et Vyacheslav V. Marchenkov. « Electronic Structure of the Non-Stoichiometric L21-Type Mn1.75Co1.25Al Heusler Alloy ». Materials Science Forum 1093 (21 juillet 2023) : 21–26. http://dx.doi.org/10.4028/p-ej1mdu.

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Theoretical ab initio calculations of the electronic structure were performed for the non-stoichiometric Mn1.75Co1.25Al Heusler alloy and compared with the electronic structure of the stoichiometric Mn2CoAl full Heusler alloy. Both compounds are assumed to have the L21-type crystal structure in the calculations, the non-stoichiometry is taken into account as a substitution of a Mn atom in a supercell. The calculation for the non-stoichiometric composition of Mn1.75Co1.25Al showed that taking non-stoichiometry into account leads to a decrease of the total magnetic moment. In comparison with the inverse type of Mn2CoAl, in both Mn2CoAl and Mn1.75Co1.25Al, the metallic type of the total density of states at the Fermi level was obtained in our calculations. In Mn1.75Co1.25Al, the total density of electronic states is found to be close to the one of the stoichiometric Mn2CoAl alloy in the majority spin projection, and in the minority spin projection spin polarization leads to the formation of the more intense peaks due to the appearance of an additional non-stoichiometric cobalt with a significant magnetic moment, as well as an increase in the magnetic moments of the other magnetic ions.

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Srivastava, Vijay, et Kanwal Preet Bhatti. « Ferromagnetic Shape Memory Heusler Alloys ». Solid State Phenomena 189 (juin 2012) : 189–208. http://dx.doi.org/10.4028/www.scientific.net/ssp.189.189.

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Although Heusler alloys have been known for more than a century, but since the last decade there has been a quantum jump in research in this area. Heusler alloys show remarkable properties, such as ferromagnetic shape memory effect, magnetocaloric effect, half metallicity, and most recently it has been shown that it can be used for direct conversion of heat into electricity. Heusler alloys Ni-Mn-Z (Z=Ga, Al, In, Sn, Sb), show a reversible martensitic transformation and unusual magnetic properties. Other classes of intermetallic Heusler alloy families that are half metallic (such as the half Heusler alloys Ni-Mn-Sb and the full Heusler alloy Co2MnGe) are attractive because of their high Curie temperature and structural similarity to binary semiconductors. Unlike Ni-Mn-Ga, Ni-Mn-In and Ni-Mn-Sn transform from ferromagnetic austenite to non-ferromagnetic martensite. As is consistent with the Clausius-Clapeyron equation, the martensitic phase transformation can be manipulated by a magnetic field, leading to possible applications of these materials enabling the magnetic shape memory effect, energy conversion and solid state refrigeration. In this paper, we summarize the salient features of Heusler alloys, like the structure, magnetic properties and potential application of this family of alloys in industry.

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Özdemir, Evren G., et Semih Doğruer. « The electronic, half-metallic, elastic, and magnetic properties of new PtWZ (Z = In, Tl, Sn, and Pb) half-Heusler alloys via GGA and GGA+mBJ methods ». Physica Scripta 96, n^o 12 (1 décembre 2021) : 125869. http://dx.doi.org/10.1088/1402-4896/ac3fcd.

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Abstract The first-principle calculations of PtWZ (Z = In, Tl, Sn, and Pb) half-Heusler alloys were calculated by WIEN2k for GGA and GGA+mBJ methods. First, the ferromagnetic (FM) phases were obtained more energetically stable than non-magnetic (NM) and antiferromagnetic (AFM) phases in each alloy. The Curie temperatures of PtWIn, PtWTl, PtWSn, and PtWPb alloys were obtained as 286.98 K, 467.14 K, 721.98 K, and 1114.31 K, respectively, by utilizing the energy differences of the AFM and FM phases. In each method and alloy used, spin-up electrons showed metallic character. In the GGA method, PtW(In, Tl) alloys have direct band gaps of 0.72044 eV and 0.91488 eV in spin-down electrons, while PtW(Sn, Pb) alloys have indirect band gaps of 1.2558 eV and 1.11892 eV, respectively. In the GGA+mBJ method, the bandgap directions in all compounds remained the same. Here, band gaps in PtW(In, Tl, Sn, and Pb) alloys were obtained as 0.99918 eV, 1.15385 eV, 1.42676 eV, and 1.17497 eV, respectively. While the total magnetic moment values of PtW(In, Tl) half-Heusler alloys were obtained as 1.00 μ B/f.u., the total magnetic moments of PtW(Sn, Pb) alloys were obtained as 2.00 μ B/f.u. These results are in full agreement with the Slater-Pauling rule. According to elastic calculations, PtWIn, PtWTl, PtWSn, and PtWPb half-Heusler alloys are elastically stable and ductile.

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Chen, Zixi, Yuya Sakuraba, Yoshio Miura, Zehao Li, Taisuke Sasaki, Hirofumi Suto, Varun K. Kushwaha, Tomoya Nakatani, Seiji Mitani et Kazuhiro Hono. « Phase stability and half-metallic character of off-stoichiometric Co₂FeGa_0.5Ge_0.5 Heusler alloys ». Journal of Applied Physics 132, n^o 18 (14 novembre 2022) : 183902. http://dx.doi.org/10.1063/5.0109802.

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We investigate the effects of off-stoichiometric compositional variations from the Co2Fe(Ga0.5Ge0.5) (CFGG) full-Heusler alloy on its half-metallic electronic structure. First-principles calculations predict that the Co antisite defects that occupy Fe-sites (CoFe) lead to a finite DOS in the half-metallic gap of CFGG. Fe antisites defects in Co-sites (FeCo) introduced by excessing Fe composition, which could suppress the formation of CoFe, preserves the half-metallic gap but reduces spin polarization because the Fermi level shifts to the lower energy. We found that, in Fe-excess CFGG, Ge-excess has an important role to enhance the spin polarization by lifting up the Fermi level position and suppressing the formation of CoFe. To confirm the effect of the Fe and Ge-excess off-stoichiometric composition on spin polarization and phase-purity experimentally, we fabricated CFGG epitaxial thin films with various composition ratios (Co2− αFe1+ α) (Ga1− βGe β)1+ γ with small positive γ (=0.09–0.29). It turns out that Co1.75Ge or Fe1.7Ge secondary phase often forms in the films for [Formula: see text] in Fe-deficient [Formula: see text] and excess [Formula: see text] compositions. This secondary phase can be suppressed by tuning the Ge and Fe compositions, and the L21-phase pure film was found in Co39.4Fe29.3Ga13.4Ge17.9 [Formula: see text]. The measurements of conventional magnetoresistance effects qualitatively indicate higher spin polarization in the Co39.4Fe29.3Ga13.4Ge17.9 film compared to other Co-excess and Ge-deficient films, which evidences the benefit to make Fe- and Ge-excess off-stoichiometric CFGG for obtaining the half-metallic nature of CFGG.

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Wu, Zhigang, Yajiu Zhang, Zhuhong Liu et Xingqiao Ma. « Influence of Symmetry from Crystal Structure and Chemical Environments of Magnetic Ions on the Fully Compensated Ferrimagnetism of Full Heusler Cr2YZ and Mn2YZ Alloys ». Symmetry 14, n^o 5 (12 mai 2022) : 988. http://dx.doi.org/10.3390/sym14050988.

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Fully compensated ferrimagnets do not create any magnetic stray field and allow for a completely polarized current of charges. As a result, these alloys show promising prospects for applications as spintronic devices. In this paper, we investigated the phase stability, the site preference, the tetragonal distortion and the influence of symmetry from the crystal structure and chemical environments of magnetic ions on the magnetic properties of Cr2YZ and Mn2YZ (Y = void, Ni, Cu, and Zn; Z = Ga, Ge, and As) full Heusler alloys by first-principles calculations. We found that the selected Cr2-based alloys, except for Cr2NiGa and Cr2NiGe, prefer to crystallize in the centrosymmetric L21-type structure, while the selected Mn2-based alloys, except for Mn2CuAs, Mn2ZnGe and Mn2ZnAs, tend to crystallize in the non-centrosymmetric XA-type structure. Due to the symmetry, the antiferromagnetism of the selected L21-type alloys is very stable, and no spin-polarized density of states could be generated. In contrast, the magnetic moment of the selected XA-type alloys depends heavily on the number of valence electrons and tetragonal distortion, and spin-polarized density of states is generated. Therefore, the selected alloys with L21-type structures and their tetragonal-distorted structure are potential candidates for conventional antiferromagnets, while those with XA-type structure and their tetragonal-distorted structure are promising candidates for (fully) compensated ferrimagnets.

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Khmelevskyi, Sergii, Eszter Simon, László Szunyogh et Peter Mohn. « Microscopic origin of ferro-antiferromagnetic transition upon non-magnetic substitution in Ru2(Mn1−xVx)Ge full Heusler alloys ». Journal of Alloys and Compounds 692 (janvier 2017) : 178–82. http://dx.doi.org/10.1016/j.jallcom.2016.09.017.

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Nazemi, N., et F. Ahmadian. « Half-metallic characteristic in the new full-Heusler SrYO-=SUB=-2-=/SUB=- (Y = Sc, Ti, V and Cr) -=SUP=-*-=/SUP=- ». Физика твердого тела 61, n^o 1 (2019) : 41. http://dx.doi.org/10.21883/ftt.2019.01.47383.206.

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AbstractHalf-metallic properties of SrYO_2 (Y = Sc, Ti, V, and Cr) full-Hensler compounds were studied using full-potential linearized augmented plane wave method based on density functional theory. The negative formation energies of SrYO_2 (Y = Sc, Ti, V, and Cr) alloys confirmed that they can be synthesized experimentally. Total energy calculations showed that AlCu_2Mn-type structure was the ground state structure in all compounds. In both structures, SrYO_2 (Y = Ti, V, and Cr) alloys were half-metallic ferrromagnets, while SrScO_2 was a non- magnetic metal. The origin of half-metallicity was verified for SrCrO_2. SrYO_2 (Y = Ti, V, and Cr) alloys in both structures were half-metals in a wide range of lattice constants indicating that they are quite robust against hydrostatic strains. The magnetization of SrYO_2 (Y = Ti, V, and Cr) alloys was mainly originated from the 3 d electrons of Y (= Ti, V, and Cr) atoms and followed the Slater–Pauling rule: M _tot = Z _tot – 12. Generally, It is expected that SrYO_2 (Y = Ti, V, and Cr) alloys are promising and interesting candidates in the future spintronic field.

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Popoola, Adewumi I., et S. Babatunde Akinpelu. « Numerical Investigation of the Stability and Spintronic Properties of Selected Quaternary Alloys ». European Journal of Applied Physics 3, n^o 4 (8 juillet 2021) : 6–12. http://dx.doi.org/10.24018/ejphysics.2021.3.4.86.

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The use of electronic charge and spins (spintronics) has been proposed for much better data storage. This class of material is believed to have excellent capability for data integrity, low dynamic power consumption and high-density storage that showcases excellent protection against data loss. The spintronic and related properties have been investigated on four newly proposed quaternary alloys (NbRhGeCo, NbRhGeCr, NbRhGeFe and NbRhGeNi) through the first-principles calculation method of the Density Functional Theory (DFT). Specifically, the phonon frequencies, elastic stabilities, and the electronic structure were systematically studied in the full Heusler structure. The results predict that NbRhGeFe and NbRhGeCr are elastically and structurally stable. Both NbRhGeFe and NbRhGeCo are half-metals with ferromagnetic character, but NbRhGeCo is unfortunately elastically unstable. NbRhGeCr and NbRhGeNi are non-magnetic metallic alloys in their spin channels. All the results predict NbRhGeFe to be the only suitable among all the four alloys for spintronic application.

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Iftikhar, Aneeza, A. Afaq, Iftikhar Ahmad, Abu Bakar, H. Bushra Munir, Najm ul Aarifeen et Muhammad Asif. « Computational Study of Ru2TiZ (Z = Si, Ge, Sn) for Structural, Mechanical and Vibrational Properties ». Zeitschrift für Naturforschung A 74, n^o 6 (26 juin 2019) : 545–50. http://dx.doi.org/10.1515/zna-2019-0054.

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AbstractThe structural, mechanical and vibrational properties of Ru2TiZ (Z = Si, Ge, Sn) Full Heusler Alloys (FHAs) are computed using PBE-GGA as an exchange-correlation functional in Kohn–Sham equations. The calculated lattice constants of these alloys in L21 phase deviate from experimental values upto 0.85 % which shows a good agreement between the model and the experiments. These lattice constants are then used to compute the second order elastic constants C11, C12 and C44 with Wien2k-code. Elastic moduli and mechanical parameters are also calculated by these three independent elastic constants. Mechanical parameters Pugh’s and Poisson’s ratio indicate non-brittle nature of these alloys. Furthermore, the Debye temperature where the collective vibrations shift to an independent thermal vibration, longitudinal and transverse sound velocities, melting temperatures, and thermal conductivities are also obtained to investigate the phonon modes of oscillation. These phonon modes confirm the stability of these alloys as there exists no imaginary phonon frequency in the phonon-dispersion curves.

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