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Yttrium Iron Garnet (YIG) ferrites, characterized by their superior magnetic and dielectric attributes, are instrumental in advancing the development of microwave devices, particularly in enhancing high-frequency performance, integration, and miniaturization. This paper synthesizes YIG ferrite materials with the composition Bi 0.6 Y 1.4-x Ca 1+x Fe 4.5-x V 0.5 Ge x O 12 (x = 0.10 to 0.50, incrementing by 0.10) through the solid-state sintering method. It delves deeply into the mechanism by which Ca2+-Ge4+ ions substitution regulates the magnetic properties of BiV-YIG. The microstructural and magnetic properties of the samples were systematically tested and analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), vibrating sample magnetometry (VSM), and TE106 perturbation method. At a substitution content of x = 0.50, the substitution of Ge4+ ions for the Fe3+ ions at the d-site transforms the material from ferrimagnetic to paramagnetic, and the saturation magnetization of the sample drops to 132.74 G. By calculating the ferromagnetic resonance (FMR) linewidth using the law of approach to saturation, the study elucidates the negative impact of low saturation magnetization on FMR linewidth. The mechanisms proposed in this paper provide theoretical and experimental bases for reducing the FMR linewidth of high dielectric constant Bi-substituted YIG, paving the way for developing high-dielectric, low-loss YIG ferrite materials for microwave devices. [ABSTRACT FROM AUTHOR]

We prepared ultrafine MnCo 2 O 4 particles using a facile sol–gel autocombustion method. The structural and vibrational characterizations confirmed the formation of a pure cubic spinel phase in as-synthesized MnCo 2 O 4 particles. The surface morphology analyses revealed the porous structure with an average particle size of 5 nm and uniform distribution of manganese (Mn), cobalt (Co), and oxygen (O) in the particles. We observed the presence of multiple valence states of Mn and Co, occupying both tetrahedral and octahedral sites, enhancing our insight into the material's electronic properties and structural configuration. Our magnetization studies unveiled a Curie Temperature (T C) of 185 K with ferrimagnetic ordering below T C , resulting in substantial magnetization (9.8 emu/g) and coercivity (3.46 kOe) at 2 K and weak magnetic behavior above T C. This is attributed to the finite size and surface effects. Furthermore, the incorporation of MnCo 2 O 4 nanoparticles and graphene oxide into a polyurethane foam matrix resulted in an excellent sound absorption coefficient of 90 % at 2000 Hz. This outstanding acoustic performance underscores the versatile applications of MnCo 2 O 4 nanoparticles in diverse noise mitigation applications. [Display omitted] [ABSTRACT FROM AUTHOR]

In this work, the ion-exchange technique in molten salts was investigated to introduce copper ions in a bioactive and ferrimagnetic devitrified glass. This approach aimed to develop a magnetic and bioactive material for oncologic bone implants, able to join the ability to promote bone bonding to hyperthermic therapy while simultaneously lowering the risk of developing post-surgery infections. The ion-exchange approach was developed in order to overcome experimental critical issues related to the influence of copper introduction as a starting reagent, during the material synthesis, on magnetite nucleation. The magnetic devitrified glass was prepared by melt and quenching route, followed by ion exchange in a mixture of molten sodium and copper nitrates, in three different Na/Cu molar ratios (20, 200, 2000). The obtained samples were analysed in terms of morphology, composition, ability to release heat, bioactivity and antibacterial properties. The results revealed that copper ion-exchange involved both sodium and calcium ions and the precipitation of few amounts of copper oxide aggregates occurred. The crystalline nature of the starting material and its ability to reach the temperature needed for hyperthermia, under exposition to an alternating magnetic field, were not affected. A bacteriostatic effect was obtained by samples with the highest copper amount and the copper doping did not affect the bioactivity of the glass ceramic. [ABSTRACT FROM AUTHOR]

Triboelectric nanogenerators (TENGs), which are powered by Maxwell's displacement current, have a wide range of applications, including energy harvesting and self-powered sensors. However, very little attention has been paid to the effect of the ferromagnetic medium on TENG displacement current. Herein, flexible ferrimagnetic poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF–HFP))/nickel ferrite (NiFe 2 O 4) fiber composite film based TENGs were fabricated and their performances were analysed. Highly crystalline, ferrimagnetic NiFe 2 O 4 nanofibers with high aspect ratio were prepared using electrospinning technique by systematic optimization of spinning parameters. Thereafter, the fibers were reinforced into the polymeric matrix to improve the β–phase and dielectric constant which in turn significantly enhanced the TENG performance. The β–phase enhancement in the composite films was confirmed by XRD and FTIR analysis; 77 % of the β–phase was achieved with the incorporation of NiFe 2 O 4 fiber. Morphological features were examined using SEM and AFM, which revealed more β–phase spherulite formation in the composite films. A notable increase in the dielectric properties was evidenced with the addition of NiFe 2 O 4 fibers and a maximum dielectric constant of∼26 was attained at 100 Hz. The TENG was developed using P(VDF-HFP)/NiFe 2 O 4 and nylon which generated an output voltage (V pp) and current (I pp) values of 584 V and 25 μA, respectively. Furthermore, the performance of TENG under an external magnetic field was examined, and a notable improvement in performance was observed, paving the way for the application of NiFe 2 O 4 fibers in hybrid energy harvesters and self-powered sensors. [ABSTRACT FROM AUTHOR]

We have investigated, for the first time, the hyperthermia properties, antibacterial, anticancer and antioxidant activities, as well as their toxicity, of Mn 0.25 Mg 0.25 Co 0.5 Fe 2 O 4 nanoparticles synthesized by the sol-gel auto-combustion method. X-ray diffraction results revealed a pure phase and good crystallinity of the synthesized. In addition, the Fourier transform infrared (FTIR) spectrum confirmed the formation of the crystallographic sites of the synthesized structure. In terms of morphology, scanning electron microscopy (SEM) showed that the nanoparticles were agglomerated. In addition, transmission electron microscopy (TEM) revealed that the nanoparticles had a cubic shape and a nanometric size of around 32 nm. Energy-dispersive X-ray spectroscopy (EDS) confirmed the chemical composition of the nanoparticles. With regard to magnetic properties, magnetic measurements showed almost ferrimagnetic behavior, with a saturation magnetization of 38.90 emu/g at room temperature. Hyperthermia measurements revealed relatively good heating efficiencies, with SAR value of 33W/g, good temperature rise and short time to reach magnetic hyperthermia temperature 42 °C (8 min). For biological activities the nanoparticles showed an excellent capacity to neutralize free radicals, eliminating 97% of DPPH and 95% of hydrogen peroxide. The dose of 40 mg/kg of the nanoparticles caused significant alterations in hematological and biochemical profiles. The material showed a significant effect on various bacterial strains, including Staphylococcus aureus and Bacillus subtilis. The synthesized nanoparticles also showed significant activity against various cell lines, including MCF-7 and HeLa. These results strongly suggest the promising utilization of Mn 0.25 Mg 0.25 Co 0.5 Fe 2 O 4 , in many applications as a potential candidate for magnetic-mediated hyperthermia. [ABSTRACT FROM AUTHOR]

This research is focused on designing new ceramic oxides with the spinel structure for a potential application as sensitive temperature and magnetic field sensors. In this respect, the mixtures of ferrimagnetic NiFe 2 O 4 with low-resistive Ni 0.66 Cu 0.41 Mn 1.93 O 4 semiconductor (molar coefficient α = 1 / 5 and 1 / 2) were prepared using the chemical co-precipitation technique followed by a low-temperature sintering of the cold-pressed powders. For the prepared materials, a variation of the electrical conductivity σ dc with temperature T (in the range 50 K–400 K) is quantitatively analyzed using different theoretical concepts of the charge carrier hopping transport occurring in disordered materials with strong electron-phonon interaction. It has been shown that an increase in α from 0 to 1 / 2 causes a step-like change of the dc electrical conductivity and, simultaneously, a gradual change in the magnetization M determined in the saturation state. The temperature coefficient of resistance T C R of the prepared ceramics takes the values from −0.6%/K (at 400 K) to −19.6%/K (below 100 K). The highest absolute value of the magneto-resistance coefficient M R determined at 150 K (and at magnetic field 7 T) registered for ceramic oxide with α = 1 / 2 was found to be 3.4%. [ABSTRACT FROM AUTHOR]

This research is driven by a desire to create composite films that combine the ferrimagnetic capabilities of pure and La/Nd substituted Sr 3 Co 2 Fe 24 O 41 Z-hexaferrites with the multifunctional features of ferroelectric polymers. A flexible magnetoelectric (ME) polymer composite films, with Sr 3 Co 2 Fe 24 O 41 (SF), Sr 2.85 La 0.15 Co 2 Fe 24 O 41 (SF–La) and Sr 2.85 Nd 0.15 Co 2 Fe 24 O 41 (SF-Nd) as the ferrimagnetic material and poly vinylidene fluoride-hexafluoropropylene (PH) as a ferroelectric component, were synthesized using solution casting method. In the current case, two steps have been used to synthesize ferroelectric and ferrimagnetic composites films: first, SF, SF-La and SF-Nd hexaferrite samples were synthesized using solid state reaction method and then 20% weight percentage of these hexaferrites were incorporated into the PH matrix using solution casting method to form composite film. In order to find the traces of collaborative interactions between the two phases, the structural, magnetic, and ferroelectric properties of these composite samples have been studied. The XRD data confirm the formation of SF, SF-La and SF-Nd hexaferrite dispersed in a piezoelectric copolymer PH matrix. The changes in the ferroelectric properties in different magnetic fields demonstrated the existence of ME coupling in the composite films. The inclusion of PH enhanced the magnetoelectric coupling of composite films. The maximal value of magnetoelectric coupling coefficient (α ME) observed is 0.213, 1.227, 3.403 and 9.797 mV cm−1 Oe−1 for SF, PHSF, PHSF-La and PHSF-Nd, respectively. There is approximately 46-time increase in the maximum value of magnetoelectric coupling coefficient (α ME) in PHSF-Nd (9.797 mV/cm.Oe) composites as compare to pure SF (0.213 mV/cm.Oe). [ABSTRACT FROM AUTHOR]

Fe doped Sr 2 RuMnO 6 (SRMO) double perovskites (Sr 2 RuMn 1-x Fe x O 6 , x = 0, 0.1, 0.2 and 0.3) were prepared by solid-state route. Both x-ray diffraction and Raman spectroscopy were performed to investigate the crystal structure of the synthesized double perovskites. Rietveld refinement of the x-ray diffraction patterns confirmed a phase transition from tetragonal to cubic space group as a function of doping concentration of iron. Raman spectroscopy at room temperature and group theory analysis revealed the phonon modes associated with the space group of the samples. The temperature dependent Raman spectroscopy showed an anharmonic behaviour of the phonon modes of the Fe doped SRMO samples. The temperature evolution of the phononic modes in the range of 300 K–620 K is predominantly influenced by the lattice degrees of freedom. The presence of several oxidation states Mn (2+, 3+ and 4+) and Fe (3+ and 4+) was confirmed by an X-ray photoemission spectroscopy analysis of the highest doped sample (x = 0.3). The magnetic properties measurements showed that the samples were completely paramagnetic at room temperature. The samples exhibit antiferromagnetism at very low temperatures and we conclude that they exhibit ferrimagnetic ground state in the mid temperature region. [ABSTRACT FROM AUTHOR]

A Z1-type Fe 3 Pd alloy with negative enthalpy of formation at ambient pressure has been discovered recently, however, its physical properties under high pressures remain unclear. In this work, the effect of pressure on the magnetic, electronic, lattice dynamic, mechanical and thermal properties of the Z1-Fe 3 Pd are investigated thoroughly by the first-principles methods. Under high pressures, the Z1-Fe 3 Pd are energetically favorable compared to other types Fe 3 Pd structures. A pressure-induced magnetic phase transition from ferromagnetic (FM) to ferrimagnetic (FIM) state are found, and the FM and FIM states are dynamically and mechanically stable under high pressures. The electronic density of states for both the FM and FIM states are analyzed to understand their magnetism. These two magnetic configurations are ductile, but their elastic properties and anisotropy are quite different. Additionally, the FM and FIM states have high uniaxial magnetocrystalline anisotropy, the FM state is a semi-hard magnet, and the FIM state undergoes a transition from hard magnet to semi-hard magnet with pressure. Finally, the volume and linear thermal expansion coefficients under high pressure are calculated, and the anisotropy of thermal expansion is also discussed in detail. • A stable Fe 3 Pd structure under high pressure is discovered for the first time. • The pressure-induced magnetic phase transition from ferromagnetic to ferrimagnetic state is determined. • The structural stability is verified by formation enthalpy, phonon and elastic. • Elasticity, thermal expansion and their anisotropies are investigated. • Ferrimagnetic state transforms from a hard magnet to a semi-hard magnet under high pressure. [ABSTRACT FROM AUTHOR]

This study investigates the magnetocaloric potential of the Al 50 Cr 21-x Mn 17+x Co 12 (x=0, 4, 8 at%) high-entropy alloy (HEA) series using integrated experimental and theoretical approaches. Structural analysis by X-ray diffraction and scanning electron microscopy indicate a dual phase containing B2 and body-centered cubic (BCC) structures. Magnetic characterization shows an approximately linear decrease in saturation magnetization and Curie temperature with increasing Cr content. Curie temperatures calculated by Monte Carlo simulations suggest that the measured magnetic properties originate from the B2 phase rather than the BCC phase. The enhanced magnetocaloric effect with decreasing Cr content highlights the attractiveness of HEAs in magnetocaloric applications. • Al 50 Cr 21-x Mn 17+x Co 12 (x=0, 4, 8 at%) high-entropy alloys were prepared by arc melting. • The phase and chemical composition analysis indicates a dual phase containing B2 and BCC structures. • Calculated T C s suggest that the measured magnetic properties originate from the B2 phase rather than the BCC phase. • Tunable TC and magnetization with decreasing Cr were confirmed through measurement of TC and hysteresis loops. • The magnetocaloric effect was quantified by measuring the adiabatic temperature change and magnetic entropy change. [ABSTRACT FROM AUTHOR]

This work utilizes a multi-scale computational approach combining first-principles density functional theory (DFT) and Monte Carlo statistical simulations to provide fundamental insights into the impacts of vanadium (V) doping on the structural, electronic, magnetic, and thermodynamic properties of wurtzite zinc sulfide (ZnS). 2 × 2 × 2 ZnS supercells with controlled V doping concentrations from 12.5%–25% substituting zinc sites were constructed. The introduction of V dopants induces systematic expansions in lattice parameters and cell volume, attributed to the larger ionic radius of V 2 + than Zn 2 + , while the average compressibility shows minimal variation. However, V incorporation is found to soften ZnS by over 15% at higher dopant contents, increasing compliance and anisotropy. Stable ferromagnetic spin couplings emerge, mediated by host carriers without precipitating V secondary phases. The band structure develops half-metallic electronic properties with the lifting of spin degeneracy and preferential spin-up band metallicity induced by V-3d and S-3p hybridization effects. This results in 100% spin polarization at the Fermi level. Monte Carlo simulations based on a tight-binding Hamiltonian constructed from maximally localized Wannier functions to accurately calculate the exchange interactions between V spins successfully reproduce the magnetic phase transition behavior. The results confirm high Curie temperatures exceeding 300 K at 25% V, attributable to the significant strengthening of short-range ferromagnetic couplings over antiferromagnetic interactions. The integrated computational approach provides fundamental insights into the microscopic origin of carrier-mediated ferromagnetism in V-doped wurtzite ZnS dilute magnetic semiconductors. The systematic first-principles calculations and statistical mechanics modeling establish clear structure–property relationships linking V doping configurations and concentrations to tuned mechanical response, enhanced stability, electronic structure modifications, spin polarization, and magnetic ordering temperatures in ZnS. The results present design pathways and predictive capabilities to guide experimental efforts toward emerging high-performance magnetic materials for spintronic technologies. [Display omitted] [ABSTRACT FROM AUTHOR]

Samples with inversion parameter values (δ) ranging from 0.27 to 0.14 while maintaining the crystallite size value have been successfully fabricated from commercially available powders by mechanical grinding and thermal annealing treatments at temperatures ranging between 400 and 600 °C. Detailed characterization studies of these samples using X-ray, neutron diffraction and magnetic measurements have confirmed for the first time the simultaneous coexistence at 2 K of short range antiferromagnetic and ferrimagnetic ordering for a wide range of the inversion parameter. The magnetic phase diagram obtained is different from the one previously reported, which shows at 2 K the coexistence of long range antiferromagnetic order and short range order for values of inversion parameters less than 0.1 and the presence of a ferrimagnetic order only for values of δ > 0.2. At room temperature, the Rietveld analysis of NPD patterns and the magnetization curves showed a paramagnetic behavior in the samples with δ ≤ 0.1. For the samples with higher cationic inversion, typical hysteresis curves of ferrimagnetic materials were observed and the saturation magnetization values obtained agree quite well with the net magnetic moment obtained from the Rietveld refinement of the neutron diffraction patterns. [ABSTRACT FROM AUTHOR]

In the present work, [Co (1-(x + y)) Mg x Ni y ][Cr 2 ]O 4 (CMNCr)(where, x = y = 0, 0.10, 0.20) NPs are examine in detail by using experimental results. Solution combustion method is adopted to prepare the CMNCr NPs. Experimental results were studied to understand structure (using XRD), microstructure (using SEM) and magnetic behaviour (using SQUID). The structural analysis was confirmed a single-phase spinel cubic structure with singular structural distortions associated with Mg–Ni doping and the generation of metal vacancies. SEM micrographs of all samples reveal their highly porous nature. EDS was utilized to examine the elemental analysis of the samples. The formation of spinel cubic structure without impurity were also confirmed by Fourier-transform infrared (FTIR) spectroscopy and the same tool is used to investigate the absorption bands related to the A-site and B-site. For all samples, paramagnetic phase to ferrimagnetic phase transition observed at T C and conical spiral spin order transition observed at T S. The curie temperature is found to be 98 K, 89 K, and 85 K for [Co][Cr 2 ]O 4 , [Co 0.8 Mg 0.1 Ni 0.1 ][Cr 2 ]O 4 and [Co 0.6 Mg 0.2 Ni 0.2 ][Cr 2 ]O 4 samples, respectively. The spiral transition temperature is found to be 26 K, 14 K and 8 K for [Co][Cr 2 ]O 4 , [Co 0.8 Mg 0.1 Ni 0.1 ][Cr 2 ]O 4 and [Co 0.6 Mg 0.2 Ni 0.2 ][Cr 2 ]O 4 samples, respectively. All of the samples exhibit paramagnetic behaviour above T C. The negative magnetization effect were observed in [Co 0.6 Mg 0.2 Ni 0.2 ][Cr 2 ]O 4 NPs. 20% of Mg and 20% of Ni substitution to Co site in [Co][Cr 2 ]O 4 leads to the evident magnetization reversal at the compensation temperature with an applied magnetic field of 100 Oe. The M − H loop at 10 K exhibits large coercivity due to the spiral spin ordering. This phenomenon of negative magnetization in the material results in a stable state of magnetization in the material, which has significant applications in the field of magnetic storage devices. [ABSTRACT FROM AUTHOR]

Polycrystalline samples of DyCo 9 Si 4 with the tetragonal LaFe 9 Si 4 -type structure have been synthesized by arc melting and high-temperature annealing. Results of the magnetization M and specific heat C p measurements show the existence of two magnetic anomalies at T C = 40 K and T m = 20 K. The transition at T C = 40 K is attributed to the ferromagnetic transition of the Co sublattice. The magnetic moments of Dy3+ appear to align gradually below T C , and almost fixed below T m , at which a broad maximum in C p has been observed. Field-dependent M at T = 2 K up to H = 7 T suggested that the magnetic moment of Dy3+ is coupled antiferromagnetically with those of Co, forming a ferrimagnetic structure. Magnetization measurements up to 50 T at low temperatures using a pulse magnet demonstrated a spin-flip transition around H = 20 T, above which the magnetic moments of Co and Dy are in parallel. The spin-flip transition becomes broad with increasing temperature but still remains at T C = 40 K, indicating a strong antiparallel coupling between Co and Dy moments even in the paramagnetic state. The magnetocaloric effect was evaluated from C p and M , and also from the sample-temperature variation in the quasi-adiabatic process with the pulsed magnetic field. The maximum entropy change for the field change from 5 to 0 T was observed at around T = T m with the value Δ S = 5 J/kg K. The maximum temperature of Δ S shifts to higher temperatures in high magnetic fields, resulting in the large value of Δ S = 24 J/kg K at T ∼ T C by the field change from 50 to 0 T. The present results demonstrate that the pulsed-field measurement is a powerful method to evaluate the magnetocaloric effect of materials. ● Physical properties of DyCo 9 Si 4 are reported for the first time. ● Step-like increase of the magnetization curve is observed at low temperature. ● Antiparallel coupling of Dy/Co magnetic moments remains in the paramagnetic state. ● Pulsed field measurement enables a quick and reliable magnetocaloric evaluation. ● Large magnetocaloric effect of 24 J/kg K is observed at T = 40 K. [ABSTRACT FROM AUTHOR]

Magnetic properties of multicomponent alloys depend sensitively on the degree of atomic order on the different crystallographic sites. Here we report the contrast between the magnetic properties of bulk and thin-film samples of the Heusler alloy V 2 FeAl. Arc-melted bulk ingots show no site preference of the elements (A2 structure), whereas magnetron-sputtered thin-film samples display a degree of atomic ordering with a tendency towards XA-type order. Electronic structure calculations favour ferrimagnetic XA-type order, and the effect of different pairwise atomic disorder on the element specific and net magnetic moments are evaluated to reproduce experimental observations. XA-type thin-films with iron moment of 1.24 μ B determined by X-ray magnetic circular dichroism are in agreement with calculation, but the measured net moment of 1.0 μ B per formula unit and average vanadium moment are smaller than expected from calculations. The measured Curie temperature is approximately 500 K. Films with a higher degree of disorder have a lower T C , close to 300 K, with a net moment of only 0.1 μ B at low temperature. The large calculated vanadium moments are destroyed by partial disorder on 4 d vanadium sites. By contrast, the arc-melted and annealed bulk alloy with a fully-disordered A2 structure shows no spontaneous magnetization at any temperature; it is a Pauli paramagnet with dimensionless susceptibility χ v = 2.95 × 10-4. [Display omitted] [ABSTRACT FROM AUTHOR]

The current work reports an unprecedented multifunctional material with optical activity and a modified magnetic response by a unique combination of doping with P and Fe into the spinel LiMn 2 O 4. Through inductively coupled plasma – optical emission spectroscopy, X-ray absorption near-edge spectroscopy, X-ray diffraction and scanning transmission electron microscopy, the chemical composition, oxidation state and the crystalline structure are determined. Solid-state UV-Vis spectroscopy, magnetic susceptibility and electronic conductivity reveal the critical importance of the interaction between iron and phosphorus when simultaneously doping the crystalline structure of LiMn 2 O 4. The presence of Fe and P considerably increases charge carrier concentration as a mechanism for enhancing electronic conductivity. Fe and P doping also creates Fe-Fe spin interactions that allow double electron optical excitations. This opens a pathway to create multifunctional materials for light-assisted charging lithium-ion batteries. P doping also induces the formation of magnetic clusters arising from the Fe-O-Fe, Fe-O-Mn and Mn-O-Mn spin exchange interactions. The magnetic response of the materials is strongly influenced by the relative amount of Fe in octahedral or tetrahedral sites of the spinel structure. Such ferrimagnetic behaviour has not been reported before LiMn 2 O 4 doped with Fe or P separately. The potential applicability of this newly identified magnetic feature was demonstrated by a significant capacity gain when a lithium-ion cell is exposed to a static external magnetic field. • Simultaneous P and Fe doping of the LiMn 2 O 4 spinel develops new ferro/ferrimagnetic properties in this material. • Phosphorous stabilizes iron-iron magnetic interactions, unseen in previous Fe doped LiMn 2 O 4. • Iron-iron magnetic interaction gives rise to double optical electron excitation and ferro/ferrimagnetic features. • Under magnetic field, ferromagnetic P and Fe doped LiMn 2 O 4 delivers higher capacity gains than other generic LIB materials. • Enhanced capacity gains occur due to an increased magnetohydrodynamic effect on the surface of the particles. [ABSTRACT FROM AUTHOR]

Mn 1.17 Co 1.83 BO 5 and Mn 1.39 Co 1.61 BO 5 ludwigites were synthesized by the flux technique and investigated by means of X-ray diffraction, X-ray fluorescence, DC and AC magnetic susceptibility, and specific heat analysis. The crystal structure of both ludwigites belongs to the Pbam space group with a = 9.25 Å , b = 12.41 Å , and c = 3.05 Å for Mn 1.17 Co 1.83 BO 5 and a = 9.27 Å , b = 12.45 Å , and c = 3.05 Å for Mn 1.39 Co 1.61 BO 5. The simultaneously observed negative values of the Curie-Weiss temperatures and ferromagnetic-type hysteresis loops allow us to assume that the ferrimagnetic ordering is realized in Mn 1.39 Co 1.61 BO 5 below T F = 60.8 K, while in Mn 1.17 Co 1.83 BO 5 in addition to the above mentioned experimental facts the frequency dependencies of the real and imaginary parts of the AC magnetization were observed assuming the presence of the canonical spin-glass state below T SG = 44.5 K. The observed difference in coercive forces of M-H curves at low temperatures can be associated with presence of two spin subsystems for Mn 1.17 Co 1.83 BO 5. • Ludwigites Mn 1.17 Co 1.83 BO 5 and Mn 1.39 Co 1.61 BO 5 has been grown using flux method and then turned to powder. • An exchange bias was observed in Mn 1.17 Co 1.83 BO 5. • Measurements show spin-glass transitions at 44.3K for Mn 1.17 Co 1.83 BO 5 and ferrimagnetic transition at 60.8K for Mn 1.39 Co 1.61 BO 5. • The effective magnetic moments per unit cell are μ eff = 8.06 μ B for Mn 1.17 Co 1.83 BO 5 and μ eff = 9.03 μ B for Mn 1.39 Co 1.61 BO 5. • Co3+ ions taking 0.38 of 3 + position for Mn 1.17 Co 1.83 BO 5 and completely fill 3 + position for Mn 1.39 Co 1.61 BO 5. [ABSTRACT FROM AUTHOR]

The current theoretical study explores the physical properties of quaternary Heusler ferrimagnetic semiconductors, specifically CrVTiAl, CrVZrAl, and CrVHfAl. Using first-principles calculations, we conduct a comprehensive analysis of the structural, electronic, and thermoelectric properties at different temperatures (300 K , 600 K , and 900 K) employing the r 2 SCAN functional. Furthermore, we investigate the impact of various types of doping on thermoelectric performance and efficiency of these Heusler compounds. Our results demonstrate the tunability of the thermoelectric properties of these Heusler compounds, emphasizing the critical role of carrier concentration, and provide valuable insights for the design and improvement of thermoelectric properties for thermoelectric applications. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • The electronic, magnetic, and optical properties of MnFe 2 O 4 are studied through first-principles calculations. • The intricate chemical interactions of Mn-O and Fe-O bonds grounded in the multi-orbital hybridizations are thoroughly investigated in this article. • The optical properties, with a particular focus on prominent peaks that exhibit direct correlations with band transitions and spin configurations are an appealing research. • Various computational methods, encompassing local-density approximations (LDA), LDA + U, Perdew, Burke, Ernzerhof (PBE), and PBE + U, are considered to compare the electronic band gap and magnetic moments of MnFe 2 O 4. MnFe 2 O 4 represents a notable spinel ferrite material that synergistically combines the benefits of both Fe- and Mn-based materials. This compound emerges as a potential candidate for diverse applications encompassing biomedical techniques like thermotherapy, energy storage mechanisms such as lithium-ion batteries and supercapacitors, and advancements in optoelectronics and optical devices. Comprehensive first-principles calculations have been employed to delve into the structural, electronic, magnetic, and optical properties of MnFe 2 O 4. The intricate chemical interaction of Mn-O and Fe-O is elucidated via charge and spin features. This study meticulously examines distinct energy bands, spatial charge distributions, specific van Hove singularities, and configurations separated by spin orientation. Preliminary findings categorize the material as a semiconductor exhibiting ferrimagnetic traits. Among the computational methodologies utilized, including local-density approximations (LDA), LDA + U, Perdew, Burke, Ernzerhof (PBE), and PBE + U, the latter method shows a band gap of 1.017 eV, in contrast to the narrower gaps identified by alternative approaches. Crucially, the pronounced multi-orbital interactions spanning [4s, 3 d x 2 - y 2 , 3d xy , 3d yz , 3d xz , 3 d z 2 ] and [2s, 2p x , 2p y , 2p z ] offer insights into the fundamental physicochemical interactions of Fe-O and Mn-O. This article also presents and deliberates on the optical properties, emphasizing peaks that correlate directly with band structures and spin configurations. [ABSTRACT FROM AUTHOR]

Copper-containing ferrimagnetic glass-ceramic with the following composition: 24.7% SiO 2 -8.5% CaO-13.5% Na 2 O-3.3% P 2 O 5 -31% Fe 2 O 3 -14% FeO–5CuO (wt%) was synthesized by means melt and quenching process both in powder and bulk form. The obtained samples were characterized and compared by means morphological, compositional and structural analyses. The magnetic properties and the ability to release heat were also investigated together with the antimicrobial properties towards S. aureus strain. The obtained results showed that copper introduction and the annealing process influenced the nucleation of crystalline phases; in particular the samples produced in powder form evidenced a low amount of magnetite and thus a reduced hysteresis area and ability to produce heat when exposed to an alternating magnetic field. While Cu-containing samples in the bulk form maintained the magnetic and calorimetric properties of pristine glass-ceramic. Preliminary evaluation of antibacterial properties demonstrated Cu-doped samples were not able to reduce the bacterial proliferation and thus the need to optimize the copper introduction process. [ABSTRACT FROM AUTHOR]

Structural, magnetic, and optical properties along with N 2 absorption-desorption features of Sm3+–Dy3+ ions co-substituted BaSr hexaferrite microspheres (HFMSs) engineered through a hydrothermal gel approach were investigated. The microstructural and morphological features were examined by powder X-ray diffraction (XRD), surface area and pore size distribution (BET), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), high-resolution transmission electron microscopy (HR-TEM), and transmission electron microscopy (TEM) techniques. Rietveld analysis proved the purity of products. The BET revealed a slight variation in textural characteristics with increasing Sm3+–Dy3+ substitution. The surface area (11–16 m2/g) exhibits a pore volume of ~0.07 cm3/g and average pore size distributions of 26.6 nm. The 300 K and 10 K field-dependent hysteresis loops were registered. Remanent magnetizations (M r) and coercive fields (H C) are in a range of 29.15–34.05 emu/g and 1420–5391 Oe at 300 K, respectively. The estimated saturation magnetizations (M s) vary between 53.22 emu/g and 71.08 emu/g, and magneton numbers (n B) are in a range of 10.51–13.93 μ B. At 10 K, the M r = 35.18–46.83 emu/g, H C = 1487–4760 Oe, M s = 81.82–99.17 emu/g, and n B = 14.83–19.44 μ B , which are greatly higher compared to room temperature. All magnetic parameters exhibit strong ferrimagnetic features of pristine Sr 0 · 5 Ba 0 · 5 Fe 12 O 19 and Dy3+ and Sm3+ co-doped HFMSs at both temperatures. Squareness ratios (SQRs), which are very close to 0.50 assign the single domain uniaxially symmetric structured HFMSs. δ M type of remanence plots was applied to specify the intensity and type of interparticle interactions as a function of the externally magnetic field, H. The Schuster-Kubelka-Munk theory provides to estimate direct energy band gaps (E g). Undoped or co-doped HFMSs have a very narrow magnitude of E g data between 1.795 and 1.865 eV depending on the couple ion concentrations. [ABSTRACT FROM AUTHOR]

The flow behavior, dynamic recrystallization (DRX), and microstructure evolution during the hot deformation of a newly developed 15Cr-30Ni-2Ti-3Cu valve alloy were studied. A constitutive model after strain compensation was established to predict the flow behavior of the alloy. A DRX kinetic model was proposed to predict dynamic recrystallization behavior during hot deformation. Both the fraction of DRX and the recrystallized grain size increases as the deformation temperature is increased from 950 ℃ to 1150 ℃, and decreases with increasing the strain rate from 0.01 s−1 to 10 s−1. A complete recrystallization structure of the alloy is obtained at the hot deformation temperature of 1150 ℃ and the strain rates smaller than 0.1 s−1. The optimal processing parameters of the valve alloy are determined as 1050 ℃− 1150 ℃/0.01 s−1-0.1 s−1. The Laves phase and (Ti,Nb)C particles precipitate during hot deformation, and hinder the dynamic recrystallization process by pinning dislocations and grain boundaries. Fine γ' particles provide nucleation sites for the formation of dynamically recrystallized grains due to its ordered cubic L1 2 structure. • Arrhenius-type constitutive model and dynamic recrystallization kinetics model was established. • The hot working processing map was established to determine the optimal hot working window. • The evolution of microstructure and precipitated phase during hot deformation were studied. • The DRX microstructure were analyzed by EBSD. [ABSTRACT FROM AUTHOR]

Exploring valley-contrasting physics in scarce intrinsic high-temperature ferromagnetic semiconductors with feasible synthesis route is of great significance for ever-evolving moden information technology. By first-principles calculations, the TiInTe 3 monolayer is predicted to demonstrate excellent structural stability and easy-plane semiconducting ferromagnetism arising from indirect superexchange mechanism. Monte Carlo simulations based on the Heisenberg model reveal a magnetic phase transition at 583 K well above room temperature. Due to the inversion and time-reversal asymmetries, tunable valley polarization in the conduction band up to 110 meV can be achieved by varying the magnetization orientation, which is further validated by a first-order perturbation theory. More excitingly, electron doping for realizing the anomalous valley Hall effect gives rise to an out-of-plane preference for magnetization in the TiInTe 3 monolayer and thus generates spontaneous and larger valley polarizations. After doping, the ferromagnetism above room temperature remains robust in the experimentally attainable electron density regime. Our findings highlight that the TiInTe 3 monolayer is a promising ferrovalley material for developing high-performance spintronic and valleytronic nanodevices. [Display omitted] [ABSTRACT FROM AUTHOR]

Crystal structure, magnetostriction, magnetic and magnetothermal properties have been studied for novel non-stoichiometric ErFe 2 Mn x (0 ≤ x ≤ 0.6) compounds. It has been found that for х ≤ 0.4 the compounds crystallize with MgCu 2 -type structure. Curie temperature and magnetic moment values decrease with manganese alloying. Molecular field coefficients have been calculated within ferrimagnetic two-sublattice molecular field model. Magnetic and heat capacity measurements have been used to calculate magnetocaloric effect in a wide temperature range. It has been demonstrated that increasing the Mn content in ErFe 2 Mn x leads to a significant increase (up to 39 %) of anisotropic magnetostriction value at 77 K in magnetic field of 18 kOe. At the same time, the value of effective magnetocrystalline anisotropy decreases. Thus, manganese alloying opens new way for tuning magnetocrystalline anisotropy and magnetostriction in Laves phase compounds. [Display omitted] • single phase non-stoichiometric ErFe 2 Mn х compounds are formed up to Mn concentration x = 0.4. • ErFe 2 Mn х compounds with x ≤ 0.2 have the compensation temperatures at М (Т) curves. • Curie temperature and magnetic moment values decrease with manganese alloying. • The value of anisotropic magnetostriction significant increase with increasing the Mn content. • The value of effective magnetocrystalline anisotropy decreases with increasing the Mn content. [ABSTRACT FROM AUTHOR]

We report a systematic experimental and theoretical study of half-metallic Heusler alloys Mn 2 V 1−x Co x Al (x = 0, 0.25, 0.5, 0.75, 1). In this study, using the arc-melting method and optimizing annealing temperatures, we succeed to synthesize Mn 2 V 1−x Co x Al (x = 0, 0.25, 0.5, 0.75, 1) alloys with evident L2 1 (or XA) order. A near compensated ferrimagnetic moment of 0.02 μB/f.u. at 5 K is observed with the Co concentration of 0.5 which is consistent with the S-P rule. In addition, we systematacially investigate the effects of Co concentration on electronic structure of Heusler alloys Mn 2 V 1−x Co x Al (x = 0, 0.25, 0.5, 0.75, 1) using first-principles calculations, and found that the half-metallic characteristic persists for all Co concentrations. In line with our experimental results, employing appropriate atomic site occupation, we obtained a full compensated ferrimagnetic moment of 0 μB/f.u. for stoichiometric Mn 2 V 0.5 Co 0.5 Al alloy. In addition, the robustness of half-metallic properties for compensated ferrimagnet Mn 2 V 0.5 Co 0.5 Al with the variation of atomic disorder are investigated and the results indicate that the Mn-Al swapping weakly destroys the half-metallic properties and the compensated ferrimagnet Mn 2 V 0.5 Co 0.5 Al alloy maintains the high spin polarization under the effect of B2 disorder. • Mn 2 V 1−x Co x Al (x = 0, 0.25, 0.5, 0.75, 1) alloys with evident L2 1 (or XA) order are fabricated successfully. • Magnetic properties can be regulated by component ratio of Co and V. • A full compensated ferrimagnetic moment of 0 μB/f.u. for stoichiometric Mn 2 V 0.5 Co 0.5 Al alloy is obtained. • Half-metallic properties of Mn 2 V 0.5 Co 0.5 Al is robust against atomic disorder. [ABSTRACT FROM AUTHOR]

The physical properties of the double perovskite A 2 BB'O 6 are closely related to the B-site cationic arrangement, which directly affects the crystal morphology, magnetic coupling and electronic structure. Herein, the impact of B-site antisite defects on the magnetic and electronic properties of double perovskite Pb 2 FeOsO 6 has been investigated using spin-polarized first-principles calculations. Our calculations demonstrate that B-site ordered Pb 2 FeOsO 6 is a ferrimagnetic semiconductor with the saturated magnetic moment of ~2.27 μ B f.u.−1, mainly generated from B-site Fe and B′-site Os antiferromagnetic coupling. With the introduction of B-site antisite defects, the crystal lattices nearly maintain the original structure of the ordered Pb 2 FeOsO 6 , although the internal atomic arrangements are reconstructed. Nevertheless, the saturated magnetic moment is sharply reduced in Fe/Os disordered configurations, which originates from the additional Os–Os and Fe–Fe antiferromagnetic coupling, and consequently induces Os–Os, Os–Fe and Fe–Fe spins interaction competition. Further electronic structure analyses indicate that the B-site antisite defects do not alter the semiconducting performance of Pb 2 FeOsO 6. Our study sharpens the understanding of the effects of cationic ordering on the physical properties of double perovskites and provides an alternative avenue for tailoring their characteristics. This work illustrates the nonnegligible effect of B-site atomic disorder on the atomic distribution, spin interaction arrangements and electronic transport properties in double perovskite Pb 2 FeOsO 6. Image 1 [ABSTRACT FROM AUTHOR]

A mixed-spin (5/2, 3/2) Ising model is established to describe the antiferroelectric/ferroelectric (AFE/FE) BiFeO 3 /Co bilayer structure. We study the effects of the crystal field, exchange coupling and external longitudinal electric field on the dielectric properties of the bilayer based on Monte Carlo simulation. We illustrate the temperature dependence of polarization, susceptibility, internal energy and specific heat of the system in detail. As well, we depict the phase diagram and point out the rule of the blocking temperature with various parameters. In particular, we find rich and interesting multi-cycle electric hysteresis behaviors. The results show that these parameters play a crucial part in the physical properties of the AFE/FE BiFeO 3 /Co bilayer structure. [ABSTRACT FROM AUTHOR]

We prepared pure-phase Ni x Mn 1-x Co 2 O 4 (x = 0, 0.25, 0.5, 0.75 and 1) nanoparticles using a low-temperature solid-state reaction method. Magnetization measurement results showed that with Ni doping, the Curie temperature and coercivity of Ni x Mn 1-x Co 2 O 4 increased. Multiple magnetic phases that transition from paramagnetic to ferrimagnetic to ferrimagnetic and antiferromagnetic were observed to coexist in the Ni 0.5 Mn 0.5 Co 2 O 4 sample. At low temperatures, the ferromagnetic and antiferromagnetic phases coexist in Ni x Mn 1-x Co 2 O 4 (x = 0 and 0.25), and as the concentration of Ni increases, Ni x Mn 1-x Co 2 O 4 (x = 0.75 and 1) show a spin glass state. The structure of Ni x Mn 1-x Co 2 O 4 (x < 0.5) is mainly affected by cation defects, and by cation substitution when x is greater than 0.5. The results of first-principles calculations show that covalent bonds exist in Ni x Mn 1-x Co 2 O 4 and that the strength of the Ni-O bond is greater than that of the Mn-O bond. [ABSTRACT FROM AUTHOR]

A detailed study has been carried out of the static and dynamic magnetic properties of ferrimagnetic spinel MgFe 1.2 Ga 0.8 O 4 nanoparticles (NPs), including the measurements of low-field dc -magnetization M (T) under zero-field-cooled (ZFC) and field-cooled (FC) conditions and ac -susceptibility χ ac (T) at different frequencies (f) and amplitudes of the ac -field (H ac). Below, a Curie temperature (T C), a clear magnetic irreversibility (M ZFC (T) ≠ M FC (T)), as well as a broad peak in both M ZFC (T)– M FC (T) magnetizations have been observed. At T ≪ T C , the two distinct, frequency-dependent peaks at T p1 ≈ 9 K and T p2 ≈ 14 K in the imaginary part of the ac -susceptibility χ ac '' (T) have been found. Their positions have been consistent with those of the anomalies detected on the temperature dependence of the magnetic contribution to the heat capacity C mag (T), and a sharp decrease of the M ZFC (T) magnetization near ≈ 10–20 K. It was revealed that the fitting of the frequency dependence of the peaks' positions (T p1 (f) and T p2 (f)) in the imaginary part of ac -susceptibility χ ac '' (T) using the Neel-Arrhenius law yields unphysical values of the relaxation time (τ 0) and, therefore, these results ruled out a possibility of an existence of superparamagnetic (SPM) clusters in the system. On the other hand, the T p1 (f) and T p2 (f) dependences followed both the Vogel-Fulcher law and the power law. These observations indicate that, a complex magnetic state in MgFe 1.2 Ga 0.8 O 4 , realized in the low temperature region, may likely be related to a progressive freezing of magnetic clusters. [ABSTRACT FROM AUTHOR]

Di-phase 0.66BaTiO 3 –0.33Co 0.8 Zn 0.2 Fe 2 O 4 ceramic composites with randomly mixed phases have been obtained by conventional sintering method (CM) and Spark Plasma Sintering (SPS). The impact of sintering method on the structural, microstructural and functional properties is comparatively analysed. The dielectric properties are dominated by the BaTiO 3 phase, with contributions from the interfaces mostly on the dielectric relaxation properties, while the ferrimagnetic character of the composite is derived from the ferrite phase as a sum property. Both CM and SPS ceramics show bi-tunable character, i.e. their permittivity can be modified by the application of both electric and magnetic fields. A high dielectric nonlinearity is mostly characteristic to the ceramics with larger grains. The electrical tunability tends to reduce by the application of a magnetic field an almost is cancelled in the SPS ceramic. The two types of ceramics show opposite signs of their magnetocapacitance properties, indicating that they have different origins. A microwave filter realised with these two types of ceramics have been tested. With increasing magnetic field from 0 to 1.9 kOe (above the magnetic coercive field), the resonance frequency can be up/down shifted, as result of the positive/negative magnetoelectric coupling. [ABSTRACT FROM AUTHOR]

Terbium (Tb) and Thulium (Tm) co-doped strontium hexaferrites (SHFs), with composition SrFe 12-2x Tb x Tm x O 19 (0.00 ≤ x ≤ 0.04), were prepared via sol-gel auto-combustion method. The effect of Tb3+ and Tm3+ (as co-dopants) on SHFs were investigated in detail. XRD pattern of the prepared SHFs revealed the formation of M-type SHFs. A secondary phase of Fe 2 O 3 starts to appear for x ≥ 0.02. The optical band gaps (E g) of the prepared SHFs were widened with the increase in doping levels. Mössbauer study showed that the Tm3+ and Tb3+ ions have the preference to occupy 12k and 2a octahedral sites. M(H) measurements were recorded at room temperature (RT; T = 300 K) and low temperature (T = 10 K). The hysteresis loops of various SHFs revealed their ferrimagnetic (FM) nature at both RT and 10 K. Magnetic parameters including saturation magnetization (M s), remanence (M r), coercivity (H c), squareness ratio (SQR = M r /M s) and magnetic moment ( n B ) were determined. Compared to the pristine (undoped) sample, lower content of Tm3+ and Tb3+ co-substitution (x = 0.01) improves significantly the magnetic properties of SHFs. With further increasing co-substitution contents (x > 0.01), an impurity phase appears and as a result the magnetization reduces. The observed SQR values of the proposed SHFs above 0.5 clearly indicated their single domain character with uniaxial magnetocrystalline anisotropy. Our systematic synthesis strategy and characterization may constitute a basis for achieving high quality co-doped SHFs in a customized way. [ABSTRACT FROM AUTHOR]

The crystal structure of the first-synthesized compound EuErCuS 3 was determined from X-ray powder diffraction data: orthorhombic crystal system, space group Pnma , structural type Eu 2 CuS 3 : a = 10.1005(2) Å, b = 3.91255(4)Å, c = 12.8480(2) Å; V = 507.737(14) Å3, Z = 4, and ρ x = 6.266 g/cm3. The temperatures and enthalpies of reversible polymorphic transitions and incongruent melting of the compound were determined by DSC: T α↔β = 1524 K, ΔН α↔β = 2.3 ± 0.2 kJ∙mol−1; T β↔γ = 1575 K, ΔН β↔γ = 0.7 ± 0.1 kJ∙mol−1; T γ↔δ = 1602 K; ΔН γ↔δ = 1.3 ± 0.1 kJ∙mol−1 and T cr = 1735 ± 10 K, ΔН cr = −3.5 ± 0.3 kJ∙mol−1. IR spectra were recorded in the range from 50 to 400 cm−1. The compound was found to be IR-transparent in the range 4000–400 cm−1. The compound was characterized by Raman spectroscopy. The observed spectra featured both Raman lines and luminescence. Ab initio calculations of the EuErCuS 3 crystal structure and phonon spectrum were performed, the frequencies and types of fundamental modes were determined, and the involvement of constituent ions in the IR and Raman modes was assessed from an analysis of the ab initio displacement vectors. The vibrational spectra were interpreted. EuErCuS 3 manifests a ferrimagnetic transition at 4.8 K. Its microhardness is 2850 MPa. The obtained data can serve as the basis for predicting the properties of EuLnCuS 3 compounds. Valence states for Eu (2+) and Er (3+) are proved both by the XRD and optical methods. Optical band gap was found to be 1.934 eV from diffuse reflectance spectrum. Image 1 • The EuLnCuS 3 compound exhibit ferrimagnetic properties at low temperature. • The polymorphic transitions for EuLnCuS 3 are identified at high temperature. • EuErCuS 3 is a wide-gap semiconductor. • Valence purity of Eu2+ is proved via both XRD and optical techniques • The ab initio calculation of the Raman and infrared spectra of EuErCuS 3 , made for Pnma symmetry, agrees well with experiment. [ABSTRACT FROM AUTHOR]

The effects of Fe substitution on the structural and magnetic properties of the HoCo 12- x Fe x B 6 (0 ≤ x ≤ 2) series of intermetallic compounds have been studied. All of the compounds form in the rhombohedral SrNi 12 B 6 -type structure, the lattice constants increasing linearly with x. These compounds are ferrimagnets with a small transition metal magnetic moment and exhibit a spin reorientation transition. The Curie temperature decreases from 147 K for x = 0–105 K for x = 2. The Fe for Co substitution leads also to a progressive decrease of the spontaneous magnetization. The spin reorientation transition temperature is significantly reduced upon Fe for Co substitution whereas the compensation temperature is much less sensitive to the Fe composition. • Ferrimagnetic ground state. • Compensation point. • Spin reorientation transition. • Magnetocrystalline anisotropy. • Monotonic decrease of T C , T SR and M S upon Fe for Co substitution. [ABSTRACT FROM AUTHOR]

The composition dependent magnetic structure in epitaxial BaFe 12-x Sc x O 19 (0 ≤ x ≤ 2.1, BaScM) thin films have been investigated. Results show that with increasing Sc3+ content, the out-of-plane c -axis lattice constants of BaScM films increase but do not follow the Vegard's law. The changes in hysteresis loops indicate a variation of magneto-crystalline anisotropy from the uniaxial-type for BaFe 12 O 19 to the near-planar type for BaFe 10.2 Sc 1.8 O 19. The remanent magnetic domains change from a mixture of dots and maze-like structure to more maze-like structure as the Sc3+ content increases. The above magnetic results can be explained by a composition dependent magnetic structure transition from collinear-type ferrimagnetic magnetic structure to the non-collinear conical magnetic structure which appears at Sc3+ content x ≥ 0.6. The ZFC/FC curves further show that the conical magnetic structure transition temperature (T cone) of the films increases with the Sc3+ content until x ≥ 2.1. The above results may help better apply BaScM films in the electromagnetic devices. • With increasing Sc3+ content, lattice constant c increases but doesn't follow the Vegard's law. • With increasing Sc3+ content, magnetocrystalline anisotropy of the film changes from uniaxial-type for to conical-type. • With increasing Sc3+ content, magnetic domains change from a mixture of dots and maze structure to more maze-like structure. • The conical magnetic structure transition temperature (T cone) increases with the Sc3+ content until x ≥ 2.1. [ABSTRACT FROM AUTHOR]

Theoretical calculations were performed to investigate the effect of isovalent substitution of Fe with Ga on the magnetic and ferroelectric properties in BiFeO 3 doped with 16.6% and 8.3% Ga. Such substitution will break the G-type anti-ferromagnetic order and enhance the magnetism of BiFeO 3 by forming a stable ferrimagnetic order. The doped system maintains robust spontaneous polarization that is sufficiently large for practical applications at room temperature. The findings explain experimentally observed magnetism. The coexistence of magnetism and ferroelectricity in the doped BiFeO 3 render it a candidate material for application to information storage and spintronics devices. • The coexistence of magnetism and ferroelectricity is observed in Ga-doped BiFeO 3. • The substitutional doping establishes a ferrimagnetism in BiFeO 3 matrix. • The Ga-doped BiFeO 3 material still maintains robust ferroelectricity. [ABSTRACT FROM AUTHOR]

Di-phase ferroelectric-ferrite composites with the same composition close to the percolation limit (0.66BaTiO 3 -0.33CoFe 2 O 4) and with different phase arrangements (randomly mixed phases and tri-layer structures) have been consolidated by using spark plasma sintering and their properties were comparatively analyzed. The intrinsic effective dielectric constant has been estimated by using finite element method and a value almost ten times higher was predicted for the randomly mixed composite, as result of different field distributions inside the ferrite and ferroelectric phases. At room temperature, experimental permittivity contains an intrinsic behavior overlapped onto a very strong extrinsic component determined by the interfaces and by local charge inhomogeneity. The extrinsic dielectric behavior has been discussed in terms of thermally activated relaxation mechanisms developed in both types of investigated structures, as revealed by the temperature-dependence impedance spectroscopy. The magnetic properties are derived as "sum property" from the ferrimagnetic character of CoFe 2 O 4 and show the lowest magnetization for the randomly mixed composites and a weak magnetic anisotropy when the magnetic field was applied in-plane or out-of-plane in the layered structure. Due to the different levels of interface doping specific to the different types of interfaces, the magnetic Curie temperature of the two composites ranges from 720 K in the randomly mixed structure to 746 K for the layered one. The ferroelectric P (E) loops and a modest ME coefficient of 14 mVOe−1cm−1 at 100 Hz were determined only for the layered structure, due to the high leakage and to the small grain size (below 200 nm) in the ferroelectric BaTiO 3 component. • Randomly mixed and tri-layered structure composites were comparatively investigated. • Role of the phase arrangement on the dielectric properties was predicted by FEM. • Experimental dielectric data contains a strong influence from extrinsic phenomena. • Magnetic properties slightly depend on the phase arrangement. [ABSTRACT FROM AUTHOR]

LaCoO 3 suffers spin crossover as a function of temperature, changing from low-spin state to intermediate-state and, at high temperatures, it also changes to a high-spin state. Nano-confinement of this material induces a long-range magnetic ordering, with a critical temperature close to 83 K; and to deepening this debate whether it is a consequence of nanotopology or defects on the surface, we have prepared the compositions of the series La 1 − x □ x Co 1 − x 3 + Co x 4 + O 3 (x = 0.00, 0.04, 0.08 and 0.12). We experimentally found an axial compression of the CoO 6 octahedra, verified by the new elasticity parameter σ ; and, based on the Jahn-Teller theorem, we proposed a spin state and a mean-field model, that successfully fitted the experimental magnetic susceptibility. As an output, we found that the Co(III) sub-lattice has an antiparallel intra-lattice alignment; while the Co(IV) sub-lattice has a parallel intra-lattice alignment. As a part of the ferrimagnetic model considered, the net magnetization of both sub-lattices (Co(III) and Co(IV)), are aligned in opposition. The magnetic behavior of these vacant bulk samples is similar to those nanostructured ones, with the same critical temperature, and therefore we claim that the long-range magnetic ordering found for those nanomaterials has its origin on the Jahn-Teller effect on the surface of the sample. • Samples of the kind L a 1 - x □ x C o 1 - x 3 + C o x 4 + O 3 were produced. • From the apical compression of the C o O 6 octhaedron we developed a mean-field model. • Good theoretical-experimental match for the experimental magnetic susceptibility. • Magnetic arrangement for the material is ferrimagnetic. • The long-range magnetic ordering found on nano-objects of L a C o O 3 is not due to its nanotopology. [ABSTRACT FROM AUTHOR]

Here, we report structural and magnetic phase transitions in NiCr 1.9 Fe 0.1 O 4 nanoparticles of size ∼60 nm synthesized through cost-effective co-precipitation route. X-ray diffraction pattern shows a stable cubic phase at RT in contrast to tetragonal phase in bulk NiCr 2 O 4. Decreasing the temperature, a complete tetragonal symmetry is observed at 50 K, while a coexistence of cubic and tetragonal phases in the intermediate temperature range. Interestingly, no tetragonal to orthorhombic phase transformation has been observed down to 12 K as observed in NiCr 2 O 4 at 70 K. The local structure examined from temperature dependent EXAFS demonstrates that although no change in distribution of cations among tetrahedral (A) and octahedral (B) sites down to 10 K has been observed, Fe3+ ions occupy A site replacing equivalent amount of Ni2+ towards B site which is contradicting to the bulk NiCr 2 O 4 where Ni2+ occupies only A site. Magnetic studies demonstrate a two-fold increase in para to long-range ferrimagnetic transition, T C , due to increase in A-B exchange interaction and no change in spiral ordering temperature, T S indicates strong B-B interaction. In addition, these nanoparticles exhibit unusually high spontaneous exchange bias of ∼1.265 kOe at 60 K. We discuss the temperature dependent exchange bias on the basis of competition between uncompensated B site moments and ferromagnetically ordered spins at A site. The tunable exchange bias without field highlight the potential applications of these materials in spintronics devices. [ABSTRACT FROM AUTHOR]

[Display omitted] Modeling and simulation of microstructures are essential to understand the complex responses and behaviors of nuclear materials in extreme environments. The needs to assess the extended life operation as well as the growing interest in accelerating nuclear materials development and qualification have stimulated the use of high-fidelity multiscale models aided by empirical and ab initio data. This paper reviews the role of various models across different length and time scales in investigating irradiation effects on microstructure evolution and degradation, in particular the embrittlement caused by radiation induced or enhanced formation of nanoscale chemical heterogeneities. The strength and limitations of these models, including classical rate theories, cluster dynamics, phase-field methods, and atomistic models informed by ab initio energies, are discussed with seminal examples. Challenges regarding the lack of thermo-kinetic data and theoretical treatments considering chemical complexities and magnetic excitations, as well as the stabilizing effect by excess point defects in nuclear structural materials are presented, along with potential solutions based on ab initio informed surrogate energy models and statistical sampling by Monte Carlo simulations. The review then highlights the opportunities to leverage the advantages of different methods by establishing hybrid models by shared variables or coupled codes and applications. Finally, the review concludes with forward-looking remarks on how the use of physics-based models can aid the improvement of machine-learning models of property degradation and vice versa. [ABSTRACT FROM AUTHOR]

High-quality ferrimagnetic Mn 2 Sb epitaxial thin films have been successfully grown on SrTiO 3 (001) single-crystal substrates via systematically optimizing the growth parameters using molecular beam epitaxy. Magnetotransport and magnetic measurements reveal that a spin reorientation transition occurs in the 260–150 K region where the direction of spins rotates from out-of-plane to in-plane upon cooling, resulting in the ferrimagnetic(II) phase, followed by a giant magnetoresistance associated anomalous ferrimagnetic(II)-to-canted antiferromagnetic (c -AFM) phase transition in the 150–115 K region, resulting in the c -AFM ground state, both of which are completely absent and have yet not been previously observed in Mn 2 Sb bulk and thin films. Temperature-dependent X-ray diffraction measurements reveal that the low-temperature c -AFM phase originates from the contraction of the out-of-plane lattice constant c , which would increase the exchange interaction between neighbouring magnetic sublattices and thus stabilize the c -AFM phase. DFT calculations reveal that substrate clamping is the cause of the unique c -axis contraction in Mn 2 Sb films. For the 24-nm films, there is almost no out-of-plane magnetization in the ground state, but exists a weak in-plane remanent magnetization (∼0.4 μ B/f.u.) and anomalous Hall effects, implying spin canting within the ab plane. With decreasing film thickness from 64 to 8 nm, the out-of-plane saturation magnetization at 10 K increases by approximately 10 times, and for the 8-nm film, its saturation magnetization (4.8 μ B/f.u.) is 2.8 times larger than that of Mn 2 Sb bulk (∼1.74 μ B/f.u.), both of which are attributed to the interfacial strain effect. Our work demonstrates that Mn 2 Sb films grown on perovskite oxide substrates show anomalous spin-charge-lattice coupling phenomena, which may inspire more study of its basic properties and potential device applications. [Display omitted] [ABSTRACT FROM AUTHOR]

The band alignment, intrinsic ferromagnetism, Dzyaloshinskii-Moriya interaction, magnetic anisotropy and critical temperature (T C) of a GdI 2 /GeC van der Waals (vdW) heterostructure were systematically investigated by first-principles calculations and Monte Carlo simulations. The proposed GdI 2 /GeC vdW heterostructure is a bipolar magnetic semiconductor with Type-I band alignment, large in-plane magnetic anisotropy energy (MAE) of − 0.912 mJ/m2 and high critical temperature of 466 K. In addition, under biaxial strains, the heterostructure transformed from semiconductor into metal, while the easy magnetization axis maintained in-plane and T C increased. The results indicated that the GdI 2 /GeC vdW heterostructure presented large MAE and high T C , having potential applications in spintronic devices. [Display omitted] ● The heterostructures is a bipolar magnetic semiconductor. ● The heterostructures with large in-plane magnetic anisotropy. ● The heterostructures with high critical temperature 466 K. [ABSTRACT FROM AUTHOR]

Exfoliated graphite (EG) is a promising sorbent for oil and organic pollutants, which has a high sorption capacity and hydrophobicity. Modifying the EG with ferrimagnetic compound allows EG with sorbed oil to be collected from the water surface with the use of a magnetic field. The aim of this work is to obtain a sorbent based on exfoliated graphite with ferrimagnetic maghemite (γ-Fe 2 O 3) and investigate its structure and functional properties. The preparation of iron-containing EG includes the impregnation of expandable graphite with a FeCl 3 water solution and the thermal treatment of impregnated expandable graphite at temperatures between 400 and 1000 °C. Mossbauer spectroscopy, X-ray diffraction analysis, scanning electron microscopy and energy dispersive X-ray spectroscopy show the evolution of the iron-containing phase from FeOCl to the mixture of α-Fe 2 O 3 and γ-Fe 2 O 3 , which grants magnetic properties to the samples. EG obtained at 1000 °C has a saturation magnetization of 22.7 emu g−1. High macropore and meso-/micropore volume investigated by mercury porosimetry and nitrogen adsorption-desorption method results in a high sorption rate and sorption capacity of EG up to 30 g g−1 toward oil and liquid hydrocarbons. At the same time, the EG sorption capacity toward water is ten times lower. [Display omitted] • Exfoliated graphite/γ-Fe 2 O 3 is obtained from expandable graphite/FeCl 3. • Evolution of the iron-containing phase was investigated by Mossbauer spectroscopy. • Consequent formation of FeOCl, α-Fe 2 O 3 and γ-Fe 2 O 3 is observed. • γ-Fe 2 O 3 content increases when increasing the thermal treatment temperature. • EG/γ-Fe 2 O 3 has high saturation magnetization and oil sorption capacity. [ABSTRACT FROM AUTHOR]

Co(Fe 1 -x Cr x) 2 O 4 (x = 0.02, 0.10, 0.15, 0.30, 0.50) samples are synthesized by the sol-gel method. The XRD patterns and subsequent Rietveld refinement provided structural analysis and confirmation of the samples' single-phase formation. XPS measurement reveals the existence of the elements Co, Cr and Fe in 2+ and 3+ oxidation states. The saturation magnetization (M s), coercivity (H c) and magnetocrystalline anisotropy (K 1) are observed to decline to as low as 10 emu/g, 35 Oe and 0.50 (106 erg/cm3) following Cr substitution, which indicated that the samples transform to a soft magnetic material. Cr substitution also lowers the ferrimagnetic (FiM) to paramagnetic (PM) transition temperature, T c , from 752 K for x = 0.02 to 307 K for x = 0.50. With Cr replacement, the dielectric constant and dielectric loss values decrease, indicating it to be a potential contender for high frequency applications. The dielectric constant for x = 0.30 and x = 0.50 samples rises sharply around 1 MHz owing to the LC resonance effect between the samples and the measurement leads. The ac conductivity plots are found to be in conformity with Jonscher's single power law, and the conduction process is revealed to be attributable to the small polaron hopping mechanism. • Cr substituted Cobalt ferrites has been synthesized in single phase form by sol-gel method. • Co, Cr and Fe exists only in 2+ and 3+ oxidation state. • Cr occupies only the octahedral sites. • Saturation magnetization, Coercivity and magnetocrystalline anisotropy are observed to decline following Cr substitution. • Dielectric constant and dielectric loss decreases with Cr substitution. [ABSTRACT FROM AUTHOR]

In the family of double perovskites, colossal magnetoresistance (CMR) has been so far observed only in half-metallic ferrimagnets such as the known case Sr 2 FeMoO 6 where it has been assigned to the tunneling MR at grain boundaries due to the half-metallic nature. Here we report a new material−Tl 2 NiMnO 6 , a relatively ordered double perovskite stablized by the high pressure and high temperature synthesis−showing CMR in the vicinity of its Curie temperature. We explain the origin of such effect with neutron diffraction experiment and electronic structure calculations that reveal the material is a ferromagnetic insulator. Hence the ordered Tl 2 NiMnO 6 (∼70% of Ni2+/Mn4+ cation ordering) represents the first realization of a ferromagnetic insulating double perovskite, showing CMR. The study of the relationship between structure and magnetic properties allows us to clarify the nature of spin glass behaviour in the disordered Tl 2 NiMnO 6 (∼31% of cation ordering), which is likely related to the clustering of antisite defects and associated with the short-range spin correlations. Our results highlight the key role of the cation ordering in establishing the long range magnetic ground state and lay out new avenues to exploit advanced magnetic materials in double perovskites. Image 1 [ABSTRACT FROM AUTHOR]

Abstract Magnesium and calcium co-substituted Ba M-type nanohexaferrite (NHFs) is fabricated via sol-gel auto-combustion technique. The phase formation was proved by XRD powder pattern, FESEM and HR-TEM. Magnetic properties of Ba 1-2x Ca x Mg x Fe 12 O 19 (x ≤ 0.1) NHFs investigated by Mossbauer Spectroscopy. The variations in line width, quadrupole splitting, isomer shift, the cation distribution of Ca2+ and Mg2+ ions and hyperfine magnetic field values were estimated. The AC magnetic susceptibility and ZFC-FC measurements were also performed for the Ba 1-2x Ca x Mg x Fe 12 O 19 (x = 0.02 and 0.08) NHFs. The M FC -M ZFC results do not show blocking temperature peak, indicating the ferrimagnetic (FM) behavior of prepared products. Different models including Neel-Arhenius (N-A), Vogel-Fulcher (V-F) and critical slowing down (CSD) were tested to evaluate the AC-magnetic susceptibility behaviors. It is demonstrated that the magnetic interactions are important for x = 0.02 NHFs. [ABSTRACT FROM AUTHOR]

Abstract Exchange bias behaviors up to room temperature have been observed in NiCo 2 O 4 /NiO nanoparticle system. The field-cooled magnetic hysteresis loops exhibit shifts both in the field and magnetization axes simultaneously. The variation of exchange bias field and magnetization shift depends strongly on the measuring temperature. In addition, the dependence of exchange bias effect on measuring temperature is not monotonous, which is reflected in the different tendency during the decrease process of magnetization shift and exchange bias field. The exchange bias field is decreased firstly at the range of 10–50 K followed by an increase of 50–200 K and decreased again of 200–320 K. By analyzing various magnetic measurements, the special exchange bias effect in NiCo 2 O 4 /NiO can be owing to the spin glass state and the ferrimagnetic/antiferromagnetic coupling during different temperature ranges. [ABSTRACT FROM AUTHOR]

Abstract Herein, we have systematically illustrated the specific impact of Ce-Zn co-substituted M-type strontium hexaferrites on its microstructure and magnetic properties. An evident phase pattern change process and performance improvement are observed from a series of systematic measurements. The results of X-ray diffraction show that the single phase can be obtained when x = 0.00–0.30, the other unexpected diffraction peaks of hematite (α -Fe 2 O 3) will appear in the patterns as x > 0.3. Scanning electron microscopy exhibits that all samples formed the uniform plane hexagonal structures with different substitution contents. FT-IR spectra verify the confirmation that M-type hexagonal structure has been formed thoroughly. M (T) curve displays the ferrimagnetic behavior of temperature dependent magnetization. And vibrating sample magnetometer indicates both M s and H c can be improved significantly, indicating an excellent performance in novel recording devices. Highlights • Ce-Zn co-substitute M-type strontium hexaferrites is reported initially. • EDX verifies the expected formula of Sr 1- x Ce x Fe 12- x Zn x O 19 hexaferrites. • FTIR spectroscopy confirms the structure of the sample. • Both M s and H c are much higher than un-substituted one. [ABSTRACT FROM AUTHOR]

Abstract Tetragonal Heusler alloys with high coercivity field (H C), low saturation magnetic moment and high Curie temperature (T C) have been considered as promising candidates for spin transfer torque (STT) applications. In this paper, tetragonal Heusler alloys Mn 3- x Cr x Ga have been designed and realized in experiments by adjusting the ratio of Mn/Cr and selecting suitable heat treatment conditions. It has been found that Mn 3- x Cr x Ga (x = 0, 0.2, 0.3, 0.4, 0.5, 0.6 and 1) alloys exhibited multiple phase structures. As x > 0.5, both as-spun and as-annealed ribbons show pure B 2-type body-centered cubic (b.c.c.) structure. The D 0 22 -type tetragonal Heusler structure starts to appear in the matrix of cubic B 2 structure as x = 0.5 in as-annealed ribbon samples, and gradually develops to pure tetragonal structure as x = 0.3. There is a significant structure difference between as-annealed and as-spun ribbons as x ≤ 0.2. Cu 3 Au-type face-centered cubic (f.c.c.) structure is observed for as-spun ribbons, while the annealed ribbons show pure tetragonal structure. The pure tetragonal Heusler alloys have hard-ferrimagnetic properties with H c higher than 258 kA/m, accompanied by a high T C , large magnetic remanence (B r) and low magnetic moment at room temperature, which are important factors for spin-transfer torque applications. Our work reveals the tunability of the magnetic and structural properties of Heusler alloys by changing the ratio of doping elements, providing a guidance for further searching for tetragonal Heusler alloys. Highlights • Multiple pure phases of entire Mn 3- x Cr x Ga alloy series were obtained by distinct composition and heat treatment methods. • First-principles calculations of structural stability were used to interpret the experimental results. • Tetragonal Heusler alloys Mn 3- x Cr x Ga with potential application prospects were realized. [ABSTRACT FROM AUTHOR]

Abstract The nanocrystalline Cd 0.5-X Ni X Co 0.5 Fe 2 O 4 (x = 0.0 to 0.5) ferrites were synthesized by auto combustion technique using hexamine as fuel. The substitution of non magnetic Cd2+ ions in the tetrahedral site causes canting on the octahedral site. The saturation magnetization increases with Ni substitution up to X = 0.3 and then decreases with further increase in Ni substitution at room temperature. This behaviour is consistent with Yafet–Kittel magnetic ordering. A three sub-lattices model (A, B 1 and B 2) has been used to describe the magnetic behaviour of the ferrites. Low temperature unsaturated magnetization behaviour indicates the core shell structure of the nanoparticles i:e ordered core spins and randomly oriented surface spins. Reduced remanent magnetization values (Mr/Ms) suggest that the samples have uniaxial anisotropy at room temperature. The variation of magnetizations of the samples with temperature was studied by ZFC–FC technique at three different applied fields of 250 Oe, 500 Oe and 1000 Oe. The nature of the curves showed a change with increase in Ni concentration. The blocking temperature and anisotropy increased with Ni concentration. The average crystallite size was found to be in the range of 6–13 nm. The lattice constant decreased with Ni concentration. The Dielectric property has been explained on the basis of Maxwell-Wagner's two layer model while A.C. susceptibility studies indicate single domain-superparamagnetic domain structure. The Curie temperature shifts to higher temperature with increase in Ni concentration. Highlights • Fuel deficient hexamine to metal nitrates ratio. • Spin canting with increase in Cd concentration. • Change in the shapes of the MT curves with Ni substitution. • Uniaxial anisotropy at room temperature. • Core-shell spin model of magnetization. [ABSTRACT FROM AUTHOR]

Abstract The ferrimagnetic Co 1.75 Fe 1.25 O 4 ferrite with cubic spinel structure (space group Fd3m) was made into composite by mixing with ferroelectric BaTiO 3 perovskite with tetragonal structure (space group P4mm) at the mass ratio 50:50. Disc shaped composite powder was finally heated at 1000 °C to study the structure, dielectric and ferroelectric properties. The electrical conductivity, dielectric response and ferroelectric properties of the composite samples are remarkably modified in comparison to their ferrite counterparts before making the composite. The composite system has shown improvement of dielectric constant with reduced dielectric loss factor and electrical conductivity in comparison to the ferrite samples. The mechanism of modified dielectric properties was understood by analyzing ac conductivity data using Jonscher's power law, complex impedance spectra in Cole-Cole plots using equivalent circuit model, and complex electrical modulus spectra using Kohlrausch, Williams and Watts (KWW) proposed model. Electrical conductivity in the composite material was determined by small polaron hoping (SPH) up to measurement temperature 400 K (close to ferroelectric transition of BaTiO 3) and overlapping large polaron hopping conductivity at higher temperatures. In contrast, SPH dominates throughout the measurement temperature range for ferrite samples. The space charge polarization, which was largely effective at low frequencies and high measurement temperatures, is significantly reduced in composite samples. High capacitive response in composite samples and its extension up to high measurement temperature is confirmed from the temperature dependence of phase shift and well defined ferroelectric polarization loop and associated electrical parameters. Highlights • Dielectric and ferroelectric study in a hybrid composite of Co 1.75 Fe 1.25 O 4 and BaTiO 3. • The composite showed improvement of dielectric constant with low dielectric loss. • Detailed analysis of ac conductivity, complex impedance and electrical modulus spectra. • Modulus spectra revealed dielectric relaxation from the interfaces of BTO and CFO phases. • In composite samples, capacitive response and ferroelectric polarization is enhanced. [ABSTRACT FROM AUTHOR]