Electronic structure, magnetic, optical and thermodynamic properties of Ni2Mn1-xRexSn and NiMn1-xRexSn Heusler alloys – ab-initio study

Jezierski, A.

doi:10.1016/j.jallcom.2019.06.223

Cited by 7 publications

(2 citation statements)

References 57 publications

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“…Theoretical calculations include earlier quantum-mechanical studies, e.g., Refs. [5,[21][22][23][24][25][26] as well as phenomenological thermodynamic assessments by the CALPHAD method [27,28]. Regarding the latter, a thermodynamic description of the corresponding binary systems exists in literature for Mn-Ni [29][30][31], Mn-Sn [30,32,33] and the Ni-Sn [34,35].…”

Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn

et al. 2021

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We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the defect-free stoichiometric Ni2MnSn higher than our experimental value by 12.8% and (ii) the magnetic state is predicted to be more sensitive to hydrostatic pressures than seen in our measurements, our study focused on the role of point defects, in particular Mn-Ni, Mn-Sn and Ni-Sn swaps in the stoichiometric Ni2MnSn. For most defect types we also compared states with both ferromagnetic (FM) and anti-ferromagnetic (AFM) coupling between (i) the swapped Mn atoms and (ii) those on the Mn sublattice. Our calculations show that the swapped Mn atoms can lead to magnetic moments nearly twice smaller than those in the defect-free Ni2MnSn. Further, the defect-containing states exhibit pressure-induced changes up to three times larger but also smaller than those in the defect-free Ni2MnSn. Importantly, we find both qualitative and quantitative differences in the pressure-induced changes of magnetic moments of individual atoms even for the same global magnetic state. Lastly, despite of the fact that the FM-coupled and AFM-coupled states have often very similar formation energies (the differences only amount to a few meV per atom), their structural and magnetic properties can be very different.

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Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn

et al. 2021

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“…Therefore, we compared the forced volume magnetostriction ∆V/V and its mechanical parameter, bulk modulus K [14,15]. The forced volume magnetostriction ∆V/V at 5 T and bulk modulus K are listed in Table 2 [25].…”

Section: Correlation Between Magnetization and Forced Magnetostrictionmentioning

confidence: 99%

The Forced Magnetostrictions and Magnetic Properties of Ni2MnX (X = In, Sn) Ferromagnetic Heusler Alloys

et al. 2020

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Experimental studies into the forced magnetostriction, magnetization, and temperature dependence of permeability in Ni2MnIn and Ni2MnSn ferromagnetic Heusler alloys were performed according to the spin fluctuation theory of itinerant ferromagnetism proposed by Takahashi. We investigated the magnetic field (H) dependence of magnetization (M) at the Curie temperature TC, and at T = 4.2 K, which concerns the ground state of the ferromagnetic state. The M-H result at TC was analyzed by means of the H versus M5 dependence. At 4.2 K, it was investigated by means of an Arrott plot (H/M vs. M2) according to Takahashi’s theory. As for Ni2MnIn and Ni2MnSn, the spin fluctuation parameters in k-space (momentum space, TA) and that in energy space (frequency space, T0) obtained at TC and 4.2 K were almost the same. The average values obtained at TC and 4.2 K were TA = 342 K, T0 = 276 K for Ni2MnIn and TA = 447 K, T0 = 279 K for Ni2MnSn, respectively. The forced magnetostriction at TC was also investigated. The forced linear magnetostriction (ΔL/L) and the forced volume magnetostriction (ΔV/V) were proportional to M4, which followed Takahashi’s theory. We compared the forced volume magnetostriction ΔV/V and mechanical parameter, bulk modulus K. ΔV/V is inversely proportional to K. We also discuss the spin polarization of Ni2MnIn and other magnetic Heusler alloys. The pC/pS of Ni2MnIn was 0.860. This is comparable with that of Co2MnGa, which is a famous half-metallic alloy.

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The electronic and optical properties of ThO2 under pressure calculated by GGA + U method

Kamboh

Hao

et al. 2021

Opt Quant Electron

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Electronic structure, magnetic, optical and thermodynamic properties of Ni2Mn1-xRexSn and NiMn1-xRexSn Heusler alloys – ab-initio study

Cited by 7 publications

References 57 publications

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn

The Forced Magnetostrictions and Magnetic Properties of Ni2MnX (X = In, Sn) Ferromagnetic Heusler Alloys

The electronic and optical properties of ThO2 under pressure calculated by GGA + U method

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