Electronic and magnetic structure studies of double perovskite Sr2CrReO6 by first-principles calculations

First-principles calculations have been performed to study the electronic band structure and ferromagnetic properties of the double perovskite Sr₂CrReO₆. The density of states (DOS), the total energy, and the spin magnetic moment were calculated. The calculations reveal that the Sr₂CrReO₆ has a stable ferromagnetic ground state and the spin magnetic moment per molecule is 1.0 μ_B, in good agreement with the experimental value. By analysis of the band structure, we propose that the ordered double perovskite Sr₂CrReO₆ is a strong candidate for half-metallic ferromagnet.     

Magnetic and transport properties of Mn-doped Bi2Se3 and Sb2Se3

We report on the single crystal growth and thermoelectric and magnetic properties of Mn-doped Bi₂Se₃ and Sb₂Se₃ single crystals prepared by the temperature gradient solidification method. The composition and crystal structure were determined using electron probe microanalysis and θ–2θ powder X-ray diffraction studies, respectively. The lattice constants of several percent Mn-doped Bi₂Se₃ and Sb₂Se₃ were slightly smaller than those of the undoped sample due to the smaller Mn atomic radius (1.40 Å) than those of Bi (1.60 Å) and Sb (1.45 Å). Mn-doped Bi₂Se₃ and Sb₂Se₃ showed spin-glass and paramagnetic properties, respectively.     

Crystal structural, magnetic and electrical transport properties of CeKFeMoO6 double perovskite

The crystal structural, magnetic and electrical transport properties of double perovskite CeKFeMoO₆ have been investigated. The crystal structure of the compound is assigned to the monoclinic system with space group P2₁/n and its lattice parameters are a=0.55345(3) nm, b=0.56068(2) nm, c=0.78390(1) nm, β=89.874(2). The divergence between zero-field-cooling and field-cooling M-T curves demonstrates the anisotropic behavior. The Curie temperature measured from C_p-T curve is about 340 K. Isothermal magnetization curve shows that the saturation and spontaneous magnetization are 1.90 and 1.43 μ_B/f.u. at 300 K, respectively. The electrical behavior of the sample shows a semiconductor. The electrical transport behavior can be described by variable range hopping model. Large magnetoresistance, −0.88 and −0.18, can be observed under low magnetic field, 0.5 T, at low and room temperature, respectively.     

Effect of La doping on magnetotransport and magnetic properties of double perovskite Sr2FeMoO6 system

We have investigated the magnetotransport and magnetic properties on polycrystalline samples of Sr_2−xLa_xFeMoO₆ (x=0$x=0$, 0.2, 0.4, 0.6, 0.8 and 1.0). The magnitude of intergrain tunneling magnetoresistance with low magnetic field of 0.88 T for x=0.2$x=0.2$ and 0.4$0.4$ samples are as large as 5% and 7% at room temperature and 13% and 10% at 10 K, respectively. The increase of coercivity (_Hc$H_{\mathrm{c}}$), ratio of remanent magnetization with respect to saturation magnetization (_Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$), high saturation fields, and reduction of the saturation magnetization indicate that random disorder of spin orientation is mainly responsible for enhancement of the low-field magnetoresistance for samples with x?0.4$x?0.4$. Whereas rapid drop of _Hc$H_{\mathrm{c}}$, _Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$, _Mr$M_{\mathrm{r}}$, and saturation fields for samples with x>0.4$x>0.4$ signifies the growth of antiphase boundary, which gives rise to lower values of low-field MR.     

The role of iron in the formation of the magnetic structure and related properties of La0.8Sr0.2Co1−xFexO3 (x=0.15, 0.2, 0.3)

La_0.8Sr_0.2Co_1−xFe_xO₃ (x=0.15, 0.2, 0.3) samples were studied by means of AC magnetic susceptibility, magnetization, magnetoresistance and ⁵⁷Fe Mössbauer spectrometry. Iron was found to take on a high spin 3d^5−α electronic state in each of the samples, where α refers to a partly delocalized 3d electron. The compounds were found to exhibit a spin-cluster glass transition with a common transition temperature of ∼53 K. The spin-cluster glass transition is visualized in the ⁵⁷Fe Mössbauer spectra as the slowing down of magnetic relaxation below ∼70 K, thereby showing that iron takes part in the formation of the glassy magnetic phase. The paramagnetic-like phase found at higher temperatures is identified below T_c≈195 K as being composed of weakly interacting, magnetically ordered nanosized clusters of magnetic ions in part with a magnetic moment oriented opposite to the net magnetic moment of the cluster. For each of the samples a considerable low-temperature negative magnetoresistance was found, whose magnitude in the studied range decreases with increasing iron concentration. The observed results obtained on the present compounds are qualitatively explained assuming that the absolute strengths of magnetic exchange interactions are subject to the relation ∣J_Co–Co∣<∣J_Fe–Co∣<∣J_Fe–Fe∣.     

Quantum HeisenbergS=1/2 spin glass with ferromagnetic coupling and random Dzyaloshinskii-Moriya interactions

By means of the generalized static replica symmetric spin glass theory, a quantum HeisenbergS=1/2 spin glass model with the infinite-ranged random Dzyaloshinskii-Moriya (DM) interaction and ferromagnetic coupling is investigated. The dependence of entropy, specific heat, susceptibility and the corresponding order parameters on temperature is studied numerically for different ferromagnetic interactions and fixed anisotropy. Two spin glass phases has been found including transverse and mixed spin glass phases. It has been shown that the local susceptibility exhibits double-cusp features for different ferromagnetic coupling (J ₀). Phase transition poins are found in the specific heat-temperature plane at various ferromagnetic coupling values. Additionally, the dependence of the spontaneous moment on temperature is calculated.     

The effect of B2O3 addition to the microstructure and magnetic properties of Ni0.4Zn0.6Fe2O4 ferrite

The effects of 0.01 and 0.1 mol B₂O₃ addition to the microstructure and magnetic properties of a Ni–Zn ferrite composition expressed by a molecular formula of Ni_0.4Zn_0.6Fe₂O₄ were investigated. The toroid-shaped samples prepared by pressing the milled raw materials used in the preparation of the composition were sintered in the range of 1000–1300 °C. The addition of 0.01 mol B₂O₃ increased the grain growth and densification giving rise to reduced intergranular and intragranular porosity due to liquid-phase sintering. The sintered toroid sample at 1300 °C gave the optimum magnetic properties of B_r=170 mT, H_c=0.025 kA/m and a high initial permeability value of μ_i=4000. The increment of the B₂O₃ content to 0.1 mol resulted in a pronounced grain growth and also gave rise to large porosity due to the evaporation of B₂O₃ at higher sintering temperatures. Hence, it resulted in an air-gap effect in the hysteresis curves of these samples.     

Magnetic-field-induced transition from metastable spin glass to possible antiferromagnetic-ferromagnetic phase separation in Cd0.5Cu0.5Cr2O4

Using ac susceptibility, dc magnetization and heat-capacity measurements, we have investigated the magnetic properties of Cd_0.5Cu_0.5Cr₂O₄. Cd_0.5Cu_0.5Cr₂O₄ has an extraordinary magnetic phase including a metastable spin-glass (SG) phase at zero field, a possible phase separation scenario of AFM/FM above ∼0.5 T field, and at intermediate fields, an apparent pseudo reentrant spin-glass (RSG) plateau is observed. These phenomena are closely correlated with the pinning effect of the Cu²⁺ sublattice on the frustrated lattice.     

Photocontrol of magnetization in Al-substituted Fe3O4 thin films

Thin films of (111)-oriented spinel ferrite Al_0.5Fe_2.5O₄ have been prepared by a pulsed-laser deposition (PLD) technique on α-Al₂O₃ (0001) substrates. The films exhibit cluster-glass behaviors with a spin-freezing temperature, T_g, near or above room temperature. The magnetization was found to increase following light irradiation below T_g, which indicates the photoinduced melting of cluster-glass states. An analysis comparing the dynamic behavior of magnetic response to light irradiation between zero-field-cooled (ZFC) states and field-cooled (FC) states at 10 K under various light intensities, I, revealed that the direct photoexcitation of spins occurs when I≤0.78 mW/mm², while the thermal heating effect following the light absorption of the samples also contributes to the enhancement of magnetization when I≥1.22 mW/mm². The magnetization of the films could be controlled by light irradiation even at room temperature. This suggests the possibility of utilizing these films in the development of novel magneto-optical memory devices.     

Synthesis and electronic behaviors of TiO2/carbon clusters/Cr2O3 composite materials

Nano-structured TiO₂/carbon clusters/Cr₂O₃ composite material has been successfully obtained by the microwave treatment of a TiO(acac)/Cr(acac)₃/epoxy resin complex. The compositions of the composite materials were determined using ICP, elemental analysis and surface characterization by SEM-EDX, TEM and XRD. ESR spectral examinations suggest the possibility of an electron transfer in the process of TiO₂ → carbon clusters → Cr₂O₃ with an oxidation site at TiO₂ particles and a reduction site at Cr₂O₃ particles. The preliminary experimental results show that the calcined materials could decompose methylene blue under visible-light irradiation.     

Magnetic properties of the quasi-one-dimensional system BaMn2V 2O8

Magnetic properties of BaMn₂V ₂O₈ are investigated by means of susceptibility, magnetization, and heat capacity measurements. Our experimental results show that BaMn₂V ₂O₈ is a one-dimensional canted antiferromagnet. The antiferromagnetic transition at a relatively high T_N of 37 K may be due to an enhancement of interchain interaction in the system, since Mn²⁺ ions have large spin moment of S=5/2. Weak ferromagnetism in BaMn₂V ₂O₈ may be due to Dzyaloshinskii-Moriya interactions arising from its noncentrosymmetric crystal structure.     

Preparation and characterizations of SiO2-coated nanoparticles of Mn0.4Zn0.6Fe2O4

Core/shell nanoparticles consisting of a magnetic core of zinc-substituted manganese ferrite (Mn_0.4Zn_0.6Fe₂O₄) and a shell of silica (SiO₂) are prepared by a sol-gel method using tetraethyl orthosilicate (TEOS) as a precursor material for silica and salts of iron, manganese and zinc as the precursor of the ferrite. Three weight percentages of the shell materials of SiO₂ are used to prepare the coated nanoparticles. The X-ray diffractograms (XRD) of the coated and uncoated magnetic nanoparticles confirmed that the magnetic nanoparticles are in their mixed spinel phase in an amorphous matrix of silica. Particles sizes of the samples annealed at different temperatures are estimated from the width of the (3 1 1) line of the XRD pattern using the Debye-Sherrer equation. The information regarding the crystallographic structure together with the particles sizes extracted from the high-resolution transmission electron microscopy (HRTEM) of a few selected samples are in agreement with those obtained from the XRD. HRTEM observations revealed that particles are coated with silica. The calculated thickness is in agreement with that obtained from the HRTEM pictures. Hysteresis loops observed in the temperature range 300 down to 5 K and Mössbauer spectra at room temperature indicate superparamagnetic relaxation of the nanoparticles.     

Two magnetic phase transitions in quasi-one-dimensional system SrCo2V2O8

Magnetic properties of SrCo₂V ₂O₈ single crystal are investigated by means of ac magnetic susceptibility, dc magnetization and heat capacity measurements. The results show that SrCo₂V ₂O₈ possesses two canted antiferromagnetic transitions at ∼5 and ∼3 K, which is different from isostructural BaCo₂V ₂O₈ with only one antiferromagnetic transition at ∼5 K. We suggest that such different magnetic properties are mainly due to their different structural symmetry.     

Magnetic properties of R2WO6 (where R=Nd, Sm, Eu, Gd, Dy and Ho)

The magnetic and electrical measurements carried out on the R₂WO₆ tungstates showed a paramagnetic behaviour for samples with R=Nd, Gd, Dy and Ho and more complex one for samples with R=Sm and Eu in the temperature range 4.2-280 K and an insulating state at room temperature. With increasing atomic number of the R element the Curie-Weiss temperature increases from −43.5 K for Nd₂WO₆ to −2.7 K for Ho₂WO₆, excluding Sm₂WO₆ and Eu₂WO₆ compounds for that the Curie-Weiss region is not observed and the imaginary part of susceptibility is close to zero. The effective magnetic moment is close to the theoretical one for the free R ion and the magnetic moment measured in magnetic field of 14 T and at temperature of 4.2 K, generally, does not reach the saturation state. The temperature independent residual susceptibility is negative for Nd₂WO₆ and positive for the remaining compounds suggesting different proportions of the Landau, Pauli and van Vleck contributions to the total susceptibility. An increase of the orbital magnetic contribution to the total magnetic moment is suggested from the fitting of the Landé factor in the compounds under study.     

Electrical and magnetic properties of TmCoIn5 and YbCoIn5 single crystals

Electrical and magnetic properties of TmCoIn₅ and YbCoIn₅ single crystals were investigated by means of electrical resistivity and magnetization measurements in the temperature range from 300 to 0.5 K under the magnetic field up to 5 T. TmCoIn₅ is an antiferromagnetic metal with a Néel temperature T_N=2.6 K. YbCoIn₅ shows non-magnetic behavior, reflecting of divalent Yb ion.     

Magnetic behavior of nanocrystalline LaMn2Ge2

The compound, LaMn₂Ge₂, crystallizing in ThCr₂Si₂-type tetragonal crystal structure, has been known to undergo ferromagnetic order below (T_C=) 326 K. In this article, we report the magnetic behavior of nanocrystalline form of this compound, obtained by high-energy ball milling. T_C of this compound is reduced marginally for the nanoform, whereas there is a significant reduction of the magnitude of the saturation magnetic moment with increasing milling time. The coercive field however increases with decreasing particle size. Thus, this work provides a route to tune these parameters by reducing the particle size in this ternary family.     

Influence of preparation method on SrMoO4 impurity content and magnetotransport properties of double perovskite Sr2FeMoO6 polycrystals

The magnetic and electric properties of the Sr₂FeMoO₆ compound produced under different preparation conditions were studied. Depending on the preparation condition, a strong variation in the nonmagnetic SrMoO₄ impurity content was found, which in turn determined the metallic or semiconducting behavior of the resistivity of the Sr₂FeMoO₆ compound. There was also evidence that SrMoO₄ played a crucial role in modifying the low magnetic field intergrain tunneling magnetoresistance in Sr₂FeMoO₆. In addition, we have established a simple method to prepare the single phase Sr₂FeMoO₆ polycrystals.     

Geometric frustration in CuV2S4

A cubic spinel conductor CuV₂S₄, containing the corner-sharing tetrahedral lattice of V, was investigated. Above a structural transition at 90 K, the ⁵¹V nuclear spin-relaxation rate 1/T₁ is comparatively large in magnitude and tends to saturate at higher temperatures, indicating that the V lattice behaves as a nearly antiferromagnetic metal. By substituting nonmagnetic Sn for V, the susceptibility turns to be of Curie-Weiss type and temperature-independent, suggesting recovery of hidden spins as a result of a partial release of the frustration. These results lead to the conclusion that CuV₂S₄ is an itinerant-electron frustrated system as YMn₂. The CDW transition of CuV₂S₄ accompanied by a tetragonal distortion which may be understood as a result of lowering of interaction dimensionality inherent to the corner-sharing tetrahedral lattice.     

Structural, electrical and magnetic characterization of the double perovskites Sr2CrMO6 (M=Mo, W): B′ 4d-5d system

We report on the preparation and characterization of the variation of B′-site transition metal in Sr₂CrMO₆ (M=Mo, W) with double perovskites structure. The magnetic susceptibility shows that Sr₂CrMoO₆ and Sr₂CrWO₆ are antiferromagnets with T_N=40 and 30 K at H=1 T, respectively. In addition, a large magnetoresistance ratio (MR) of ∼38% (H=3 T) at 5 K was observed in the Sr₂CrWO₆ compound. However, the Sr₂CrMoO₆ compound does not show any significant MR even at high fields (MR∼4%; H=3 T and 5 K). The measured O K-edge X-ray absorption is in agreement with the calculated O p-density of states for both compounds.