Manipulation of the Topological Ferromagnetic State in a Weyl Semimetal by Spin-Orbit Torque.

Magnetic Weyl semimetals (MWSMs) exhibit unconventional transport phenomena, such as large anomalous Hall (and Nernst) effects, which are absent in spatial inversion asymmetry WSMs. Compared with its nonmagnetic counterpart, the magnetic state of a MWSM provides an alternative way for the modulation of topology. Spin-orbit torque (SOT), as an effective means of electrically controlling the magnetic states of ferromagnets, may be used to manipulate the topological magnetic states of MWSMs. Here we confirm the MWSM state of high-quality Co2MnGa film by systematically investigating the transport measurements and demonstrating that the magnetization and topology of Co2MnGa can be electrically manipulated. The electrical and magnetic optical measurements further reveal that the current-induced SOT switches the topological magnetic state in a 180-degree manner by applying positive/negative current pulses and in a 90-degree manner by alternately applying two orthogonal current pulses. This work opens up more opportunities for spintronic applications based on topological materials.

Enhancing the Squareness and Bi-Phase Magnetic Switching of Co2FeSi Microwires for Sensing Application.

In the current study we have obtained Co2FeSi glass-coated microwires with different geometrical aspect ratios, ρ = d/Dtot (diameter of metallic nucleus, d and total diameter, Dtot). The structure and magnetic properties are investigated at a wide range of temperatures. XRD analysis illustrates a notable change in the microstructure by increasing the aspect ratio of Co2FeSi-glass-coated microwires. The amorphous structure is detected for the sample with the lowest aspect ratio (ρ = 0.23), whereas a growth of crystalline structure is observed in the other samples (aspect ratio ρ = 0.30 and 0.43). This change in the microstructure properties correlates with dramatic changing in magnetic properties. For the sample with the lowest ρ-ratio, non-perfect square loops are obtained with low normalized remanent magnetization. A notable enhancement in the squareness and coercivity are obtained by increasing ρ-ratio. Changing the internal stresses strongly affects the microstructure, resulting in a complex magnetic reversal process. The thermomagnetic curves show large irreversibility for the Co2FeSi with low ρ-ratio. Meanwhile, if we increase the ρ-ratio, the sample shows perfect ferromagnetic behavior without irreversibility. The current result illustrates the ability to control the microstructure and magnetic properties of Co2FeSi glass-coated microwires by changing only their geometric properties without performing any additional heat treatment. The modification of geometric parameters of Co2FeSi glass-coated microwires allows to obtain microwires that exhibit an unusual magnetization behavior that offers opportunities to understand the phenomena of various types of magnetic domain structures, which is essentially helpful for designing sensing devices based on thermal magnetization switching.

Effect of Strain on the Electronic Structure and Phonon Stability of SrBaSn Half Heusler Alloy.

This paper presents the strain effects on the structural, electronic and phonon properties of a newly proposed SrBaSn half Heusler compound. Since it is stable considering chemical thermodynamics, we tested its strength against uniform strain w.r.t phonon spectrum and it produces a direct bandgap of 0.7 eV. The direct bandgap reduces to 0.19 eV at -12% strain beyond which the structure is unstable. However, an indirect gap of 0.63 eV to 0.39 eV is observed in the range of +5% to +8% strain and afterwards the strain application destabilizes the structure. From elastic parameters, the ductile nature of this material is observed.

Influence of Long Milling Time on the Electrical Resistivity of Nanocrystalline Ni2MnSn Heusler Alloy Obtained by Mechanosynthesis.

A Ni2MnSn Heusler alloy was obtained as a single B2 phase after 12 h of mechanical milling. The influence of prolonged milling on the phase stability was analysed for milling times up to 50 h, related to mean crystallite size, lattice strain, and electrical resistivity. The nature of the powders in the milled range was found to be nanocrystalline, with a mean crystallite size of about 33 ± 2 nm. An evaluation of the internal stresses induced by milling was performed, a linear behaviour was found, and a coefficient of the internal stress increase with milling time was proposed. Particle size distributions of milled samples were analysed, and the morphology of the powders was visualised by scanning electron microscopy. The elemental distribution of milled samples was quantified by energy-dispersive X-ray spectroscopy. Electrical resistivity measurements were performed on compacted samples, and their behaviour with milling time was analysed.

Growth of Carbon Nanofibers and Carbon Nanotubes by Chemical Vapour Deposition on Half-Heusler Alloys: A Computationally Driven Experimental Investigation.

The possibility of directly growing carbon nanofibers (CNFs) and carbon nanotubes (CNTs) on half-Heusler alloys by Chemical Vapour Deposition (CVD) is investigated for the first time, without using additional catalysts, since the half-Heusler alloys per se may function as catalytic substrates, according to the findings of the current study. As a carbon source, acetylene is used in the temperature range of 700-750 °C. The n-type half-Heusler compound Zr0.4Ti0.60.33Ni0.33Sn0.98Sb0.020.33 is utilized as the catalytic substrate. At first, a computational model is developed for the CVD reactor, aiming to optimize the experimental process design and setup. The experimental process conditions are simulated to investigate the reactive species concentrations within the reactor chamber and the activation of certain reactions. SEM analysis confirms the growth of CNFs with diameters ranging from 450 nm to 1 µm. Raman spectroscopy implies that the formed carbon structures resemble CNFs rather than CNTs, and that amorphous carbon also co-exists in the deposited samples. From the characterization results, it may be concluded that a short reaction time and a low acetylene flow rate lead to the formation of a uniform CNF coating on the surface of half-Heusler alloys. The purpose of depositing carbon nanostructures onto half-Heusler alloys is to improve the current transfer, generated from these thermoelectric compounds, by forming a conductive coating on their surface.

Dataset on density functional theory investigation of ternary Heusler alloys.

This paper contains data and results from Density Functional Theory (DFT) investigation of 423 distinct X2YZ ternary full Heusler alloys, where X and Y represent elements from the D-block of the periodic table and Z signifies element from main group. The study encompasses both "regular" and "inverse" Heusler phases of these alloys for a total of 846 potential materials. For each specific alloy and each phase, a range of information is provided including total energy, formation energy, lattice constant, total and site-specific magnetic moments, spin polarization as well as total and projected density of electronic states. The aim of creating this dataset is to provide fundamental theoretical insights into ternary X2YZ Heusler alloys for further theoretical and experimental analysis.

Local strains, calorimetry, and magnetoresistance in adaptive martensite transition in multiple nanostrips of Ni39+x Mn50Sn11-x (x ⩽ 2) alloys.

Ni39+x Mn50Sn11-x (x = 0.5, 1.0, 1.5 and 2) alloys comprise multiple martensite nanostrips of nanocrystallites when cast in small discs, for example, ∼15 mm diameter and 8 mm width. A single martensite phase with a L10 tetragonal crystal structure at room temperature can be formed at a critical Sn content of 9.0 at.% (x = 2), whereas an austenite cubic L21 phase turns up at smaller x ⩽ 1.5. The decrease in the Sn content from x = 2 to 0.5 also results in a gradual increase in the crystallite size from 11 to 17 nm. Scanning electron microscopy images reveal arrays of regularly displaced multiple martensite strips (x ≽ 1.5) with an average thickness of 20 nm. As forced oscillators, these strips carry over the local strains, magnetic dipoles, and thermions simultaneously in a martensite-austenite (or reverse) phase transition. A net residual enthalpy change ΔHM↔A = -0.12 J g-1 arises in the process that lacks reversibility between the cooling and heating cycles. A large magnetoresistance of (-)26% at 10 T is observed together with a large entropy change of 11.8 mJ g-1 K-1, nearly twice the value ever reported in such alloys, in the isothermal magnetization at 311 K. The ΔHM↔A irreversibility accounts for a thermal hysteresis in the electrical resistivity. Strain induced in the martensite strips leads them to have a higher electrical resistivity than that of the higher-temperature austenite phase. A model considering time-dependent enthalpy relaxation explains the irreversibility features.

Electronic, magnetic, and structural properties of NiFeMnAl.

Half-metallic Heusler compounds have been extensively studied in the recent years, both experimentally and theoretically, for potential applications in spin-based electronics. Here, we present the results of a combined theoretical and experimental study of the quaternary Heusler compound NiFeMnAl. Our calculations indicate that this material is half-metallic in the ground state and maintains its half-metallic electronic structure under a considerable range of external hydrostatic pressure and biaxial strain. NiFeMnAl crystallizes in the regular cubic Heusler structure, and exhibits ferromagnetic alignment. The practical feasibility of the proposed system is confirmed in the experimental section of this work. More specifically, a bulk ingot of NiFeMnAl was synthesized in A2 type disordered cubic structure using arc melting. It shows a high Curie temperature of about 468 K and a saturation magnetization of 2.3µB/f.u. The measured magnetization value is smaller than the one calculated for the ordered structure. This discrepancy is likely due to the A2 type atomic disorder, as demonstrated by our calculations. We hope that the presented results may be useful for researchers working on practical applications of spin-based electronics.

Orbital hybridisation effects in B2 phase Cr doped Co2MnAl.

We investigate here the magnetic, transport, local structural and electronic properties of Co2Mn1-xCrxAl (x= 0, 0.05, 0.1 and 0.2). Our results show that all the compounds stabilise in B2 phase and are ferromagnets. The results reveal disorder at the structural and magnetic levels. X-ray absorption near edge structure (XANES) analysis reveal signature of antisite disorder between Mn and Al atoms with equal ratio. The electronic structure calculations suggest enhancement in the half metallicity, localisation of electrons at the Fermi level and an increment in density of states with doping. The combined results of electronic structure calculations and XANES studies suggest transfer of electrons to the Co site. The results of high temperature resistivity measurements suggest the conduction electrons are undergoing transition from delocalisation to weak localisation to activated behaviour with Cr doping. The extended x-ray absorption spectroscopic analysis shows that the local structure around Mn atom is different from the global structure as obtained from the x-ray diffraction results. The behaviour of the edge region is in line with the trend as obtained from the compositional analysis. We observe link between the hybridisation of 3dlike states at the Mn, Cr sites with that at the Co site and the transport properties. This could help in understanding the unusual decrement in the lattice parameter with doping. These results reveal the role of local structure in understanding the physical properties of such systems.

Large Improvement of Thermoelectric Performance by Magnetism in Co-Based Full-Heusler Alloys.

Full-Heusler alloys (fHAs) exhibit high mechanical strength with earth-abundant elements, but their metallic properties tend to display small electron diffusion thermopower, limiting potential applications as excellent thermoelectric (TE) materials. Here, it is demonstrated that the Co-based fHAs Co2 XAl (X = Ti, V, Nb) exhibit relatively high thermoelectric performance due to spin and charge coupling. Thermopower contributions from different magnetic mechanisms, including spin fluctuation and magnon drag are extracted. A significant contribution to thermopower from magnetism compared to that from electron diffusion is demonstrated. In Co2 TiAl, the contribution to thermopower from spin fluctuation is higher than that from electron diffusion, resulting in an increment of 280 µW m-1  K-2 in the power factor value. Interestingly, the thermopower contribution from magnon drag can reach up to -47 µV K-1 , which is over 2400% larger than the electron diffusion thermopower. The power factor of Co2 TiAl can reach 4000 µW m-1  K-2 which is comparable to that of conventional semiconducting TE materials. Moreover, the corresponding figure of merit zT can reach ≈0.1 at room temperature, which is significantly larger than that of traditional metallic materials. The work shows a promising unconventional way to create and optimize TE materials by introducing magnetism.

Pressure tuning reverse martensitic transformation in the Mn0.9Co0.1NiGe half-Heusler alloy.

Here we investigate the structural properties of the Mn0.9Co0.1NiGe half-Heusler alloys under pressure up to 12 GPa by Synchrotron angle-dispersive x-ray diffraction (XRD). At room temperature and pressure, the compound exhibits only the hexagonal NiIn2-type structure. Lowering the temperature to 100 K at ambient pressure induces an almost complete martensitic phase transformation to the orthorhombic TiNiSi-type structure. With increasing pressure, the stable orthorhombic phase gradually undergoes a reverse martensitic transformation. The hexagonal phase reaches 85% of the sample when applying 12 GPa of pressure atT= 100 K. We further evaluated the bulk modulus of both hexagonal and orthorhombic phases and found similar values (123.1 ± 5.9 GPa for hexagonal and 102.8 ± 4.2 GPa for orthorhombic). Also, we show that the lattice contraction induced is anisotropic. Moreover, the high-pressure hexagonal phase shows a volumetric thermal contraction coefficientαv∼ -8.9(1) × 10-5K-1when temperature increases from 100 to 160 K, evidencing a significant negative thermal expansion (NTE) effect. Overall, our results demonstrate that the reverse martensitic transition presented on Mn0.9Co0.1NiGe induced either by pressure or temperature is related to the anisotropic contraction of the crystalline arrangement, which should also play a crucial role in driving the magnetic phase transitions in this system.

First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir).

In this study, we explored the electronic and thermoelectric (TE) properties of the Na-based Quaternary Heusler Alloys (QHAs) NaHfXGe (X = Co, Rh, Ir) using density functional theory (DFT). We performed the spin-polarized DFT calculations at the general gradient approximation (GGA) level and confirmed the ground state non-magnetic configuration of NaHfXGe. The mechanical and thermodynamical stabilities are analyzed and discussed to validate the stability by calculating the elastic constant and phonon dispersion curve. A thorough investigation on the electronic properties are carried out by performing the GGA, GGA+U, and GGA+SOC formalism where we report the semi-conducting characteristic of NaHfCoGe and NaHfRhGe QHAs. However, NaHfIrGe is predicted to be a non-magnetic metal. From the calculated optical properties we found that the most active optical absorption occurs within the vis-UV region withα>105 cm-1, therefore the studied QHAs are proposed to be a promising optoelectronic materials. The results of the thermodynamic properties have shown that NaHfXGe follows Debye's low-temperature specific heat law and the classical thermodynamics of the Dulong-Petit law at high temperatures. The calculated TE efficiency using GGA+SOC formalism atT= 1200 K are ZT∼1.22 and 0.57 for NaHfCoGe and NaHfRhGe, suggesting that these materials are potential TE materials to operate at high temperature.

Carbon-Doped Co2MnSi Heusler Alloy Microwires with Improved Thermal Characteristics of Magnetization for Multifunctional Applications.

In the current work, we illustrate the effect of adding a small amount of carbon to very common Co2MnSi Heusler alloy-based glass-coated microwires. A significant change in the magnetic and structure structural properties was observed for the new alloy Co2MnSiC compared to the Co2MnSi alloy. Magneto-structural investigations were performed to clarify the main physical parameters, i.e., structural and magnetic parameters, at a wide range of measuring temperatures. The XRD analysis illustrated the well-defined crystalline structure with average grain size (Dg = 29.16 nm) and a uniform cubic structure with A2 type compared to the mixed L21 and B2 cubic structures for Co2MnSi-based glass-coated microwires. The magnetic behavior was investigated at a temperature range of 5 to 300 K and under an applied external magnetic field (50 Oe to 20 kOe). The thermomagnetic behavior of Co2MnSiC glass-coated microwires shows a perfectly stable behavior for a temperature range from 300 K to 5 K. By studying the field cooling (FC) and field heating (FH) magnetization curves at a wide range of applied external magnetic fields, we detected a critical magnetic field (H = 1 kOe) where FC and FH curves have a stable magnetic behavior for the Co2MnSiC sample; such stability was not found in the Co2MnSi sample. We proposed a phenomenal expression to estimate the magnetization thermal stability, ΔM (%), of FC and FH magnetization curves, and the maximum value was detected at the critical magnetic field where ΔM (%) ≈ 98%. The promising magnetic stability of Co2MnSiC glass-coated microwires with temperature is due to the changing of the microstructure induced by the addition of carbon, as the A2-type structure shows a unique stability in response to variation in the temperature and the external magnetic field. In addition, a unique internal mechanical stress was induced during the fabrication process and played a role in controlling magnetic behavior with the temperature and external magnetic field. The obtained results make Co2MnSiC a promising candidate for magnetic sensing devices based on Heusler glass-coated microwires.

Magnetic Damping and Dzyaloshinskii-Moriya Interactions in Pt/Co2FeAl/MgO Systems Grown on Si and MgO Substrates.

Spin-pumping-induced damping and interfacial Dzyaloshinskii-Moriya interaction (iDMI) have been studied in Pt/Co2FeAl/MgO systems grown on Si or MgO substrates as a function of Pt and Co2FeAl (CFA) thicknesses. For this, we combined vibrating sample magnetometry (VSM), microstrip ferromagnetic resonance (MS-FMR), and Brillouin light scattering (BLS). VSM measurements of the magnetic moment at saturation per unit area revealed the absence of a magnetic dead layer in both systems, with a higher magnetization at saturation obtained for CFA grown on MgO. The key parameters governing the spin-dependent transport through the Pt/CFA interface, including the spin mixing conductance and the spin diffusion length, have been determined from the CFA and the Pt thickness dependence of the damping. BLS has been used to measure the spin wave non-reciprocity via the frequency mismatch between the Stokes and anti-Stokes lines. iDMI has been separated from the contribution of the interface perpendicular anisotropy difference between Pt/CFA and CFA/MgO. Our investigation revealed that both iDMI strength and spin pumping efficiency are higher for CFA-based systems grown on MgO due to its epitaxial growth confirmed by MS-FMR measurements of the in-plane magnetic anisotropy. This suggests that CFA grown on MgO could be a promising material candidate as a spin injection source via spin pumping and for other spintronic applications.

Pd2 MnGa Metamagnetic Shape Memory Alloy with Small Energy Loss.

Metamagnetic shape memory alloys (MMSMAs) are attractive functional materials owing to their unique properties such as magnetostrain, magnetoresistance, and the magnetocaloric effect caused by magnetic-field-induced transitions. However, the energy loss during the martensitic transformation, that is, the dissipation energy, Edis , is sometimes large for these alloys, which limits their applications. In this paper, a new Pd2 MnGa Heusler-type MMSMA with an extremely small Edis and hysteresis is reported. The microstructures, crystal structures, magnetic properties, martensitic transformations, and magnetic-field-induced strain of aged Pd2 MnGa alloys are investigated. A martensitic transformation from L21 to 10M structures is seen at 127.4 K with a small thermal hysteresis of 1.3 K. The reverse martensitic transformation is induced by applying a magnetic field with a small Edis (= 0.3 J mol-1 only) and a small magnetic-field hysteresis (= 7 kOe) at 120 K. The low values of Edis and the hysteresis may be attributed to good lattice compatibility in the martensitic transformation. A large magnetic-field-induced strain of 0.26% is recorded, indicating the proposed MMSMA's potential as an actuator. The Pd2 MnGa alloy with low values of Edis and hysteresis may enable new possibilities for high-efficiency MMSMAs.

Tuning of the magneto-caloric effects in Ni43Mn46In11magnetic shape memory alloys by substitution of boron.

In this study, we report the structural, magnetic, and magnetocaloric properties of B substitution on the Mn site in Ni43Mn46-xBxIn11(x= 0.5, 1.0) Heusler alloys. Crystal structure analysis using room-temperature x-ray diffraction data reveals both samples have mixed phases composed of cubic and tetragonal phases. The structural and magnetic phase transition characteristic temperatures are determined using differential scanning calorimetry, isothermal magnetization (MT), and isofield magnetization (MH) measurements. Both alloys exhibit inverse and direct magnetocaloric effects in the vicinity of their magnetostructural transition and Curie temperature (TC), respectively. For Ni43Mn45.0B1.0In11a maximum magnetic entropy change of 25.06 J kg-1K-1is observed at 250 K for a magnetic field change of 5 T.

Investigation of the inverse magnetocaloric effect with the fraction method.

In this study, we examine Ni49Nb1Mn36In14(nom. at.%) magnetic shape memory alloy (MSMA) to illustrate the inverse magnetocaloric effect (MCE) using the fraction method. The magnetic entropy change,ΔSmag, was calculated with both, the fraction method and the thermomagnetic Maxwell relation. Our results demonstrate that there exists a large magnetization difference between field-cooling and field-heating histories in Ni49Nb1Mn36In14(nom. at.%) MSMA, which can be attributed to the pinning of lattice entropy and magnetic entropy, as it is well-known that the temperature and applied magnetic fields have an opposing effect on the total entropy change. In addition, we describe the inverse MCE and the contradictory roles on the total entropy change between the two stimuli via the fraction method.

Martensitic Transformation Temperatures and Hall Effect in Ni47-xMn41+xIn12 (x = 0, 1, 2) Alloys.

At present, the question of the relationship between the characteristic martensitic transformation temperatures (MTT) and the electronic parameters of a system has not been fully studied. In the present work, an attempt to establish a similar relationship using the example of the concentration of charge carriers, n, was made. The field dependences of Hall resistivity ρH and magnetization M of the magnetocaloric Ni47-xMn41+xIn12 (x = 0, 1, 2) alloys were measured at T = 4.2 K and in magnetic fields of up to 80 kOe. The MTT were obtained from the temperature dependences of electrical resistivity and magnetization. It was observed that the MTT correlate strongly with both the valence electron concentration e/a and the electronic transport characteristics, which are the coefficient of the normal (NHE) R0 and anomalous (AHE) RS Hall effect and the concentration of charge carriers n.

An ab-initio study of P-type ZrCoY (Y[bond, double bond]Sb and Bi) half - Heusler semiconductors.

In this study, the structural, electronic, mechanical, optical, and thermoelectric properties of the cubic half-Heusler compound ZrCoY(Y[bond, double bond]Sb and Bi) obtained using first-principles calculations are presented. The following exchange-correlation functionals have been employed: Generalized Gradient Approximation with Perdew-Burke-Ernzerhoff (GGA-PBE), Generalized Gradient Approximation with Perdew-Burke-Enzerhoff for solids (GGA-PBESol) and Local Density Approximation (LDA). Both ZrCoSb and ZrCoBi compounds are mechanically and dynamically stable, based on the elastic and phonon properties analysis. The calculated electronic band gaps for both compounds are about 1 eV, as predicted by all the three functionals. Since it is noted that GGA-PBE functional is most favourable for predicting structural properties and the energetic stability of ZrCoSb and ZrCoBi compounds, it is further used to calculate their thermoelectric properties. Within the energy range of 0-40 eV, the refractive index, dielectric constant, and energy loss function of ZrCoSb and ZrCoBi compounds are calculated. The possibility of electronic transition from the valence band maximum (VBM) to the conduction minimum band (CBM) is confirmed by the occurrence of absorption peaks in the visible range. For the evaluation of thermoelectric properties, the p-type and n-type doping attained Seebeck coefficients of 1800 and -1800 µVK-1 at 300 K, respectively. The maximum peak of 17 × 1011 W/m s K2 is attained in n-type doping, according to the power factor results.

Regulation of Magnetocaloric Effect in Ni40Co10Mn40Sn10 Alloys by Using a Homemade Uniaxial Strain Pressure Cell.

In this study, a homemade uniaxial strain pressure cell was designed to be directly used in the standard magnetometers whereby the magnetic properties of samples subjected to a uniaxial strain and magnetic field were characterized. Its feasibility has been demonstrated by the uniaxial strain control of the phase transition and magnetocaloric effect in Ni40Co10Mn40Sn10 (NCMS) alloys. With the assistance of a uniaxial strain of ~0.5%, the cooling temperature span of NCMS alloys is broadened by 2 K, and the refrigeration capacity under a 3 T magnetic field change increases from 246 to 277 J/kg. This research provides not only direct experimental assistance for the tuning of phase transition by the uniaxial strain but also possibilities for studying the coupled caloric effect in first-order phase transition materials under a combined uniaxial strain and magnetic field by the thermodynamic analysis.