Magnetocaloric Properties of the Perovskite GdCuO3: Monte Carlo Simulation

Journal of Superconductivity and Novel Magnetism - This work aims to examine the magnetocaloric properties of the Perovskite GdCuO3, such as the total magnetization, the susceptibility, and the...     

Low-field Magnetoresistance,Specific Heat and Magnetocaloric Effect in Sr Substituted Pr<Subscript>0.7</Subscript>Ca<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript>

We investigate the effect of ionic size variation on the electrical and thermodynamic properties in a series of Pr_0.7Ca_0.3−x Sr _x MnO₃ (PCSMO) samples. The increase in Sr content results in an increase of the unit cell volume, as a bigger Sr²⁺ ion replaces the smaller Ca²⁺ ions. Resistivity measurements show that the increase in the Sr content also results in the induction of a metal–insulator transition (T _MI), which increases with increasing Sr content. The activation energy (E _a), calculated from the resistivity data, decreases with increasing Sr content confirming the metallic character. The effect of the magnetic field on resistivity and specific heat has also been studied.     

Metamagnetic Transition and Magnetocaloric Effect in La<Subscript>0.45</Subscript>Dy<Subscript>0.05</Subscript>Ca<Subscript>0.5</Subscript>Mn<Subscript>0.9</Subscript>V<Subscript>0.1</Subscript>O<Subscript>3</Subscript> Compound

La_0.45Dy_0.05Ca_0.5Mn_0.9V_0.1O₃, prepared by solid-state route, was characterized using x-ray diffraction at room temperature. The Rietveld refinement shows that the sample crystallizes in orthorhombic structure with Pbnm space group. A secondary phase LaVO₄ has been also detected. The temperature dependence of the magnetization was investigated to determine the characteristics of the magnetic transition. The sample exhibits a paramagnetic-ferromagnetic transition (PM-FM) at T _C = 81 ± 0.7 K when temperature decreases. The study of the inverse of susceptibility reveals the presence of ferromagnetic clusters in the paramagnetic region. A metamagnetic transition was observed from the M(H) curves and the magnetic entropy change was calculated from magnetization curves at different temperatures in order to evaluate the magnetocaloric effect.     

Prediction of Magnetocaloric Effect by a Phenomenological Model and Critical Behavior for La<Subscript>0.78</Subscript>Dy<Subscript>0.02</Subscript>Ca<Subscript>0.2</Subscript>MnO<Subscript>3</Subscript> Compound

The La_0.78Dy_0.02Ca_0.2MnO₃ (LDCMO) compound prepared via high-energy ball-milling (BM) presents a ferromagnetic-to-paramagnetic transition (FM-PM) and undergoes a second-order phase transition (SOFT). Based on a phenomenological model, magnetocaloric properties of the LDCMO compound have been studied. Thanks to this model, we can predict the values of the magnetic entropy change ΔS, the full width at half-maximum δ T _FWHM, the relative cooling power (RCP), and the magnetic specific heat change ΔC _p for our compound. The significant results under 2 T indicate that our compound could be considered as a candidate for use in magnetic refrigeration at low temperatures. In order to further understand the FM-PM transition, the associated critical behavior has been investigated by magnetization isotherms. The critical exponents estimated by the modified Arrott plot, the Kouvel–Fisher plot, and the critical isotherm technique are very close to those corresponding to the 3D-Ising standard model (β = 0.312 ± 0.07, γ = 1.28 ± 0.02, and δ = 4.80).Those results revealed a long-range ferromagnetic interaction between spins.     

Phenomenological Model of Magnetocaloric Effect in La<Subscript>0.7</Subscript>Ca<Subscript>0.2</Subscript>Ba<Subscript>0.1</Subscript>MnO<Subscript>3</Subscript> Manganite Around Room Temperature

In this work, we studied in detail the magnetic and magnetocaloric properties of the La_0.7Ca_0.2Ba_0.1MnO₃ compound according to the phenomenological model. Based on this model, the magnetocaloric parameters such as the maximum of the magnetic entropy change ΔS _M and the relative cooling power (RCP) have been determined from the magnetization data as a function of temperature at several magnetic fields. The theoretical predictions are found to closely agree with the experimental measurements, which make our sample a suitable candidate for refrigeration near room temperature. In addition, field dependences of \({{\Delta } S}_{\mathrm {M}}^{\max }\) and RCP can be expressed by the power laws \({\Delta S}_{\mathrm {M}}^{\max }\approx a\)(μ ₀ H) ⁿ and RCP ≈b(μ ₀ H) ^m , where a and b are coefficients and n and m are the field exponents, respectively. Moreover, phenomenological universal curves of entropy change confirm the second-order phase transition.     

Ab initio study of magnetism at the TiO<Subscript>2</Subscript>/LaAlO<Subscript>3</Subscript> interface

In this article, we study the possible relation between the electronic and magnetic structures of the TiO₂/LaAlO₃ interface and the unexpected magnetism found in undoped TiO₂ films grown on LaAlO₃. We concentrate on the role played by structural relaxation and interfacial oxygen vacancies. LaAlO₃ has a layered structure along the (001) direction with alternating LaO and AlO₂ planes, with nominal charges of +1 and −1, respectively. As a consequence of that, an oxygen-deficient TiO₂ film with anatase structure will grow preferently on the AlO₂ surface layer. We have therefore performed ab initio calculations for superlattices with TiO₂/AlO₂ interfaces with interfacial oxygen vacancies. Our main results are that vacancies lead to a change in the valence state of neighbor Ti atoms but not necessarily to a magnetic solution and that the appearance of magnetism depends also on structural details, such as second neighbor positions. These results are obtained using both the local spin density approximation (LSDA) and LSDA + U approximations.     

Influence of Na Addition on Magnetic and Magnetocaloric Effects of La<Subscript>0.67</Subscript>Pb<Subscript>0.13</Subscript>Na<Subscript>0.2</Subscript>MnO<Subscript>3</Subscript> Ceramics

Structural, magnetic, magnetocaloric, and electrical properties are reported for mixed-valence manganite La_0.67Pb_0.13Na_0.2MnO₃. X-ray diffraction reveals that the sample crystallizes in the rhombohedric structure with the R-3c space group. The magnetic properties of the polycrystalline La_0.67Pb_0.13Na_0.2MnO₃ compound are discussed in detail, based on the susceptibility, magnetization, and isotherm. The sample presents a ferromagnetic property with T _C= 275 K and a Griffiths phase at T _G= 325 K which gives the existence of ferromagnetic clusters in the paramagnetic domain. A large deviation is usually observed between field cooled (FC) and zero field cooled (ZFC). M(T) is a low temperature below the blocking temperature. At 40 K, a spin-glass or a cluster-glass state is seen to arise from a ferromagnetic state. This is caused by the competition between the antiferromagnetic and ferromagnetic interactions. The electrical properties show the presence of a metal–semiconductor transition at T _M?Sc. To understand the dependence of disorder with the transport mechanism, we used the phenomenological equation for resistivity under a percolation approach, which is dependent on the phase segregation of a paramagnetic semiconductor and ferromagnetic metallic regions.     

Temperature and Magnetic Field-Induced Spin Reorientation in Rare-Earth Perovskite ErFe<Subscript>0.75</Subscript>Cr<Subscript>0.25</Subscript>O<Subscript>3</Subscript>

We report the synthesis of a single-phase rare-earth perovskite ErFe_0.75Cr_0.25O₃ polycrystalline and its magnetic properties. A transition occurs at temperature T _N = 120 K below which we observe a weak magnetic moment from the canted antiferromagnetism. Interestingly, ErFe_0.75Cr_0.25O₃ reveals the compensation-like behavior at T _comp?like = 27 K, where the net magnetic moments of transition-metal ions are antiparallel and equal to the induced net moment of Er³⁺ ions, and the paramagnetic contribution of Er³⁺ moment presenting a nonzero magnetization. The temperature-dependent magnetization measurement shows a spin reorientation transition from Γ₄ to Γ₁ at 6 K. Furthermore, it is also observed that there is a spin-flop transition at low temperature induced by external magnetic field in Γ₁ state (antiferromagnetic state). The interaction between (Fe/Cr)-3d and Er-4f electrons drives an extremely interesting spin reorientation transition which is highly sensitive to magnetic field and temperature.     

Investigation of Magnetic,Magnetocaloric, and Critical Properties of La<Subscript>0.5</Subscript>Ba<Subscript>0.5</Subscript>MnO<Subscript>3</Subscript> Manganite

We present an extensive study of the magnetic properties of a novel La_0.5Ba_0.5MnO₃ perovskite material prepared by the hydrothermal method. The explored sample was structurally studied by the x-ray diffraction (XRD) method which confirms the formation of a pure cubic phase of a perovskite structure with Pm3m space group. The magnetic properties were probed by employing temperature M (T) and external magnetic field M (μ_oH) dependence of magnetization measurements. A magnetic phase transition from ferromagnetic to paramagnetic phase occurs at 339 K in this sample. The maximum magnetic entropy change (\(\left | {{\Delta } S}_{M}^{\max } \right |\)) took a value of 1.4 J kg^??1 K^??1 at the applied magnetic field of 4.0 T for the explored sample and has also been found to occur at Curie temperature (T_C). This large entropy change might be instigated from the abrupt reduction of magnetization at T_C. The magnetocaloric effect (MCE) is maximum at T_C as represented by M (μ_oH) isotherms. The relative cooling power (RCP) is 243.2 J kg^??1 at μ_oH =?4.0 T. Moreover, the critical properties near T_C have been probed from magnetic data. The critical exponents δ, β, and γ with values 3.82, 0.42, and 1.2 are close to the values predicted by the 3D Ising model. Additionally, the authenticity of the critical exponents has been confirmed by the scaling equation of state and all data fall on two separate branches, one for T < T_C and the other for T > T_C, signifying that the critical exponents obtained in this work are accurate.     

Liquid-phase epitaxy of NdAl<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> and Yb-doped YAl<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript>

Epitaxial layers of NaAl₃(BO₃)₄ (NAB) and YAl₃(BO₃)₄〈Yb〉 (YAB〈Yb〉) containing up to 10 at % Yb have been grown by liquid-phase epitaxy on YAB substrates. Their growth kinetics have been studied at relative supersaturations of the high-temperature solution from 2 × 10^?2 to 16 × 10^?2. The ytterbium concentration in YAB〈Yb〉 has been shown to vary little during the epitaxial process. Near the edges of the substrate, the surface morphology of the layers is complicated by vicinals, which have a spiral form in the case of YAB〈Yb〉. On \(\{ 10\overline 1 1\} \) YAB substrates, homogeneous single-crystal NAB films have been grown.     

Effect of Eu<Subscript>2</Subscript>O<Subscript>3</Subscript> doping on the crystallization behavior of BaO-Bi<Subscript>2</Subscript>O<Subscript>3</Subscript>-B<Subscript>2</Subscript>O<Subscript>3</Subscript> glasses

We gave studied the crystallization behavior of 30BaO · 25Bi₂O₃ · 45B₂O₃ glasses doped with Eu₂O₃ to different levels. At a Eu₂O₃ content of 7 mol % or higher, the glasses undergo volume crystallization. The only precipitating phase is a solid solution between europium and bismuth oxides. With increasing europium concentration in the glass, the structure of the crystallites changes from cubic to rhombohedral. We have investigated the morphology, physicochemical properties, and luminescence spectra of the glasses and glass-ceramics.     

Ab Initio Study of the Electronic Structure,Elastic Properties,Magnetic Feature and Thermodynamic Properties of the Ba<Subscript>2</Subscript>NiMoO<Subscript>6</Subscript> Material

We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba₂NiMoO₆ double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C₁₁, C₁₂ and C₄₄), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C_V?≈?C_P was found at temperatures below T = 400 K, with Dulong–Petit limit values, which is higher than those, reported for simple perovskites.     

Magnetocaloric effect of Gd<Subscript>5</Subscript>Si<Subscript>2</Subscript>Ge<Subscript>2</Subscript> alloys in low magnetic field

The magnetocaloric effect of Gd₅Si₂Ge₂ alloys under heat treatment conditions are investigated in low magnetic fields. The magnetocaloric effect (MCE) is studied by measuring magnetic entropy change (ΔS _M) and adiabatic temperature change (ΔT _ad) in a magnetic field of 1·5 T using a vibrating sample magnetometer (VSM) and a home-made magnetocaloric effect measuring apparatus, respectively. The maximum ΔS _M of the alloys increases by 200% from 4·38 to 13·32 J kg⁻¹ K⁻¹, the maximum ·T _ad increases by 105% from 1·9 to 3·9 K when compared to the as-cast due to the homogeneous composition distribution and microstructure, while the magnetic ordering temperature is slightly reduced. These results indicate that the annealed Gd₅Si₂Ge₂ compounds are promising as high-performance magnetic refrigerants working room temperature in relatively low magnetic fields.     

Electronic,Magnetic Properties and Magnetocaloric Effect of La2SrMn2O7 Bilayer Manganite: An Ab Initio calculations and Monte Carlo Study

Journal of Low Temperature Physics - The structure of La2SrMn2O7 (LSMO) bilayer manganite has been investigated using the Monte Carlo simulations and ab initio calculations based on the...     

Phase equilibrium and properties of solid solutions of PbTiO<Subscript>3</Subscript>-PbZrO<Subscript>3</Subscript>-PbNb<Subscript>2/3</Subscript>Mg<Subscript>1/3</Subscript>O<Subscript>3</Subscript>-PbGeO<Subscript>3</Subscript> system

Phase diagrams of three sections of the four-component system PbTiO₃-PbZrO₃-PbNb_2/3Mg_1/3O₃-PbGeO₃ are plotted (at 20°C) and electrophysical properties of solid solutions are studied. It is found that morphotropic areas, in which dielectric, piezoelectric, and elastic properties are extreme, have a wider concentration interval than in binary systems serving as the base for the studied solid solutions. In monophase areas, isosymmetrical fields (phase states) divided by areas of constant structural parameters are revealed. An explanation of the observed effects based on the real defect structure of objects is proposed.     

Effect of Y<Subscript>2</Subscript>O<Subscript>3</Subscript> on the crystallization behavior of SiO<Subscript>2</Subscript>–MgO–B<Subscript>2</Subscript>O<Subscript>3</Subscript>–Al<Subscript>2</Subscript>O<Subscript>3</Subscript> glasses

A series of glass comprising of SiO₂–MgO–B₂O₃–Y₂O₃–Al₂O₃ in different mole ratio has been synthesized. The crystallization kinetics of these glasses was investigated using various characterization techniques such as differential thermal analysis (DTA), thermo gravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). Crystallization behavior of these glasses was markedly influenced by the addition of Y₂O₃ instead of Al₂O₃. Addition of Y₂O₃ increases the transition temperature, T _g, crystallization temperature, T _c and stability of the glasses. Also, it suppresses the formation of cordierite phase, which is very prominent and detrimental in MgO-based glasses. The results are discussed on the basis of the structural and chemical role of Y³⁺ and Al³⁺ ions in the present glasses.     

Effect of Al<Subscript>2</Subscript>O<Subscript>3</Subscript> on the properties of nanocrystalline ZrO<Subscript>2</Subscript> + 3 mol % Y<Subscript>2</Subscript>O<Subscript>3</Subscript> powder

We have studied the properties of nanocrystalline ZrO₂〈3 mol % Y₂O₃〉 and 90 wt % ZrO₂〈3 mol % Y₂O₃〉-10 wt % Al₂O₃ powders prepared via hydrothermal treatment of coprecipitated hydroxides at 210°C. The results demonstrate that Al₂O₃ doping raises the phase transition temperatures of the metastable low-temperature ZrO₂ polymorphs and that the structural transformations of the ZrO₂ and Al₂O₃ in the doped material inhibit each other.     

Phases and morphotropic regions in the PbNb<Subscript>2/3</Subscript> Mg<Subscript>1/3</Subscript>O<Subscript>3</Subscript>-PbTiO<Subscript>3</Subscript> system

Ceramic samples of solid solutions (1 ? x) PbNb_2/3Mg_1/3O₃ · xPbTiO₃ (0 ≤ x ≤ 1.0, Δx = 0.0025–0.05) are prepared by the columbite method. A detailed x?T phase diagram of the system is constructed (isothermal join at 25°C), and dielectric, piezoelectric, and elastic properties are investigated. It is established that the region of the morphotropic phase transition is positioned in the range 0.28 < x ≤ 0.43 and consists of a series of narrower regions. Inside one phase (cubic, rhombohedral, tetragonal), regions are found in which a qualitative and quantitative difference in structural and electrical parameters is observed. An interpretation of the observed effects in the context of the defect structure of the objects is suggested.     

Crystal structure of [CH<Subscript>3</Subscript>NH<Subscript>3</Subscript>][(UO<Subscript>2</Subscript>)(H<Subscript>2</Subscript>AsO<Subscript>4</Subscript>)<Subscript>3</Subscript>]

The crystal structure of a previously unknown compound [CH₃NH₃][(UO₂)(H₂AsO₄)₃] was solved by direct methods and refined to R ₁ = 0.038 for 3041 reflections with |F _hkl | >-4σ |F _hkl |. The compound crystallizes in the monoclinic system, space group P2₁/c, a = 8.980(1), b = 21.767(2), c = 7.867(1) Å, β = 115.919(5)°, V = 1383.1(3) ų, Z = 4. In the structure of the compound, pentagonal bipyramids of uranyl ions, sharing bridging atoms with tetrahedral [H₂AsO₄]^? anions, form strongly corrugated layered complexes [(UO₂)(H₂AsO₄)₃]^? arranged parallel to the (100) plane. The protonated methylamine molecules [CH₃NH₃]⁺ form unidimensional tapelike packings parallel to the c axis and linked by hydrophilic-hydro-phobic interactions. The topology of the layered uranyl arsenate complex [(UO₂)(H₂AsO₄)₃]^? is unusual for uranyl compounds and was not observed previously. A specific feature of this topology is the presence of monodentate arsenate “branches” arranged within the layer.     

Nanostructure of CaMgSi<Subscript>2</Subscript>O<Subscript>6</Subscript> (Diopside) and CaTiO<Subscript>3</Subscript> (Perovskite) mechanically activated in carbon dioxide

The micro- and nanostructure of materials resulting from mechanochemical interactions of natural diopside (CaMgSi₂O₆) and synthetic perovskite (CaTiO₃) with CO₂ have been studied by transmission electron microscopy (TEM) and high-resolution TEM. The results indicate that CO₂ absorption is accompanied by CO₂ “dissolution” in the form of CO ₃ ^2? ions in the structurally disordered silicate or titanate matrix. The diopside activation product is a quasi-homogeneous amorphous carbonate-silicate phase. The mechanically activated perovskite is a nanocomposite consisting of CaTiO₃ nanocrystals embedded in a carbonated amorphous titanate matrix.