Structure,charge ordering and physical properties of Yb<Subscript>2</Subscript>Fe<Subscript>3</Subscript>O<Subscript>7</Subscript>

The structural and physical properties of the layered Yb₂Fe₃O₇ have been extensively investigated. Transmission electron microscopy (TEM) observations at room temperature reveal the presence of diffuse zigzag-type streaks at 1/3(h h l) running along the c* axis direction, suggesting the presence of a charge ordered state with a shorter coherence length in comparison with that in Lu₂Fe₃O₇. The measurements of magnetization demonstrate that the replacement of Lu³⁺ by the magnetic Yb³⁺ ion in this layered system could result in visible effects on the low-temperature magnetic properties: the ferrimagnetic phase transition temperature decreases and an additional magnetic anomaly possibly attributed to antiferromagnetic coupling between Yb and Fe layers appears at around 50 K. Analysis of the dielectric properties shows that the Yb₂Fe₃O₇ material in general has a large dielectric constant of about 5000 at room temperature, and a broader relaxation time distribution in comparison with ErFe₂O₄.     

Effect of a magnetic field on the permittivity of 80%La<Subscript>0.7</Subscript>Sr<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript>/20%GeO<Subscript>2</Subscript> composite

The dielectric properties of a magnetoresistive conducting two-phase 80%La_0.7Sr_0.3MnO₃/20%GeO₂ (wt %) composite have been studied near the percolation threshold in magnetic fields from 0 to 15 kOe at frequencies of the measurement field from 5 kHz to 1 MHz. The samples have inductive impedances; i.e., their permittivities can be considered negative due to a high conductivity in this frequency range. The permittivity increases in magnitude in magnetic field, and the values of the magnetodielectric coefficient reach 23% at room temperature. The reasons for the effect of magnetic field on the dielectric permittivity of samples are discussed.     

Quenching of the Haldane gap in LiVSi<Subscript>2</Subscript>O<Subscript>6</Subscript> and related compounds

We report results of susceptibility χ and ⁷Li NMR measurements on LiVSi₂O₆. The temperature dependence of the magnetic susceptibility χ(T) exhibits a broad maximum, typical for low-dimensional magnetic systems. Quantitatively it is in agreement with the expectation for an S=1 spin chain, represented by the structural arrangement of V ions. The NMR results indicate antiferromagnetic ordering below T_N=24 K. The intra- and interchain coupling J and J_p for LiVSi₂O₆, and also for its sister compounds LiVGe₂O₆, NaVSi₂O₆ and NaVGe₂O₆, are obtained via a modified random phase approximation which takes into account results of quantum Monte Carlo calculations. While J_p is almost constant across the series, J varies by a factor of 5, decreasing with increasing lattice constant along the chain direction. The comparison between experimental and theoretical susceptibility data suggests the presence of an easy-axis magnetic anisotropy, which explains the formation of an energy gap in the magnetic excitation spectrum below T_N, indicated by the variation of the NMR spin-lattice relaxation rate at T≪T_N.     

Interrelation of anisotropy of magnetic properties and magnetodielectric effect in a Cu<Subscript>3</Subscript>B<Subscript>2</Subscript>O<Subscript>6</Subscript> single crystal

The effect of an external magnetic field on permittivity has been studied in a Cu₃B₂O₆ single crystal with a layered structure in the direction perpendicular to layers (bc-planes). It has been found that the appreciable magnetodielectric effect in the temperature range below the Néel temperature (≈10 K) takes place only at one magnetic field orientation H and one crystallographic direction, i.e., H || b. Such “selectivity” of the magnetodielectric effect correlates with the anisotropic behavior of magnetic properties of the crystal.     

Study on the spin-states of cobalt-based double-layer perovskite Sr<Subscript>2</Subscript>Y<Subscript>0.5</Subscript>Ca<Subscript>0.5</Subscript>Co<Subscript>2</Subscript>O<Subscript>7</Subscript>

The spin-states of cobalt based perovskite compounds depend sensitively on the valence state and local crystal environment of Co ions and the rich physical properties arise from strong coupling among charge, spin, and orbital degrees of freedom. While extensive studies have been carried out in the past, most of them concentrated on the isotropic compound LaCoO₃. In this paper, using the unrestricted Hartree-Fock approximation and the real-space recursion method, we have investigated the competition of various magnetically ordered spin-states of anisotropic double-layered perovskite Sr₂Y_0.5Ca_0.5Co₂O₇. The energy comparison among these states shows that the nearest-neighbor high-spin-intermediate-spin ferromagnetically ordered state is the relevant magnetic ground state of the compound. The magnetic structure and sizes of magnetic moments are consistent with the recent experimental observation.     

Magnetic dynamics of phase separation domains in GdMn<Subscript>2</Subscript>O<Subscript>5</Subscript> and Gd<Subscript>0.8</Subscript>Ce<Subscript>0.2</Subscript>Mn<Subscript>2</Subscript>O<Subscript>5</Subscript> multiferroics

Specific features of the magnetic properties and magnetic dynamics of isolated phase separation domains in GdMn₂O₅ and Gd_0.8Ce_0.2Mn₂O₅ have been investigated. These domains represent 1D superlattices consisting of dielectric and conducting layers with the ferromagnetic orientation of their spins. A set of ferromagnetic resonances of separate superlattice layers has been studied. The properties of the 1D superlattices in GdMn₂O₅ and Gd_0.8Ce_0.2Mn₂O₅ are compared with the properties of the previously investigated RMn₂O₅ (R = Eu, Tb, Er, and Bi) series. The similarity of the properties for all the RMn₂O₅ compounds with different R ion types is established. Based on the concepts of the magnetic dynamics of ferromagnetic multilayers and properties of semiconductor superlattices, a 1D model of the superlattices in RMn₂O₅ is built.     

Effect of porosity and pore morphology on the low-frequency dielectric response in sintered ZrO<Subscript>2</Subscript>—8 mol% Y<Subscript>2</Subscript>O<Subscript>3</Subscript> ceramic compact

Effect of porosity and pore size distribution on the low-frequency dielectric response, in the range 0.01–100 kHz, in sintered ZrO₂—8 mol% Y₂O₃ ceramic compacts have been investigated. Small-angle neutron scattering (SANS) technique has been employed to obtain the pore characteristics like pore size distribution, specific surface area etc. It has been observed that the real and the imaginary parts of the complex dielectric permittivity, for the specimens, depend not only on the porosity but also on the pore size distribution and pore morphology significantly. Unlike normal Debye relaxation process, where the loss tangent vis-à-vis the imaginary part of the dielectric constant shows a pronounced peak, in the present case the same increases at lower frequency region and an anomalous non-Debye type relaxation process manifests.     

Specific features of the thermal,magnetic, and dielectric properties of multiferroics BiFeO<Subscript>3</Subscript> and Bi<Subscript>0.95</Subscript>La<Subscript>0.05</Subscript>FeO<Subscript>3</Subscript>

Thermophysical, magnetic, and dielectric properties of multiferroic BiFeO₃ and Bi_0.95La_0.05FeO₃ ceramic compounds were comprehensively studied. Anomalies of the permittivity near an antiferromagnetic phase transition related to the structural variations were detected. The temperature T _N was determined from the temperature dependences of the thermal expansion coefficient, heat capacity, and differential susceptibility. It is shown that the transition point is shifted to higher temperatures as the rare-earth La ion substitutes for Bi. It is established that an insignificant substitution of lanthanum for bismuth enhances the magnetic properties of bismuth ferrite and the magnetodielectric effect.     

Field-induced magnetic transition in a mixed rare-earth aluminum garnet Er<Subscript>2</Subscript>HoAl<Subscript>5</Subscript>O<Subscript>12</Subscript>

The temperature dependence of the ac magnetic susceptibility of a single-crystal mixed rare-earth garnet Er₂HoAl₅O₁₂ has been investigated within the range from 1.8 to 300 K in a zero constant field and in applied bias fields of up to 9 T. In the absence of a constant magnetic field the magnetic susceptibility followed the Curie–Weiss law. The application of a constant magnetic field caused a magnetic phase transition, the temperature of which increased with increasing magnetic field. The temperature of the maximum of the ac magnetic susceptibility, which is a characteristic of the phase transition, did not show a noticeable dependence on the frequency of the alternating magnetic field.     

Transport characteristics of phonons and the specific heat of Y<Subscript>2</Subscript>O<Subscript>3</Subscript>:ZrO<Subscript>2</Subscript> solid solution single crystals

The temperature dependences of the specific heat and transport characteristics of phonons in single crystals of yttrium-stabilized zirconium dioxide Y₂O₃:ZrO₂ solid solutions have been studied. It has been shown that the temperature dependences of the specific heat at T > 5 K are almost identical at the degree of stabilization of a solid solution with an Y₂O₃ content of 5–20 mol %. Differences in the temperature dependences of the specific heat of samples from different sources at T < 5 K are due to the presence of low-energy two-level systems. The features of the transport characteristics of thermal phonons at liquid helium temperatures reflect not only the presence of two-level systems but also the scattering of phonons on low-dimensional domains of another phase coherently conjugate to the main phase of the Y₂O₃:ZrO₂ solid solution.     

Effect of Ba-substitution on the structure and properties of Pb<Subscript>0.8</Subscript>Ba<Subscript>0.2</Subscript>[(In<Subscript>1/2</Subscript>Nb<Subscript>1/2</Subscript>)<Subscript>1-x</Subscript>Ti<Subscript>x</Subscript>]O<Subscript>3</Subscript> ceramics

Ferroelectric ceramics with formula Pb_0.8Ba_0.2[(In_1/2Nb_1/2)_1-xTi_x]O₃ (PBINT) (x=0.0,0.1,0.2,0.3,0.4 and 0.5) were prepared via a two-step solid state reaction method. It was found that ceramics with compositions in the range of x=0.0∼0.3 showed a pseudo-cubic structure, whereas the ceramic with x=0.5 displayed a tetragonal structure. All compositions showed significant frequency dispersion in their dielectric properties. The remanent polarization P_r as well as the coercive field E_c, measured at room temperature, increases with the Ti content. The experimental results obtained in this system are summarized into a phase diagram, with the morphotropic phase boundary (MPB) located at x=0.4. Compared with the Pb[(In_1/2Nb_1/2)_1-xTi_x]O₃ solid solution system, incorporating Ba in the A-site leads to a significant decrease in the dielectric maximum temperature T_max, a suppression of the dielectric relaxation parameter γ, and a shift of the MPB composition to a higher Ti content. PACS 77.84.Dy; 77.80.Bh; 77.22.Ch     

Colossal magnetodielectric effect in SmFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> multiferroic

The colossal (more than threefold) decrease in the dielectric constant ɛ in the easy-plane SmFe₃(BO₃)₄ ferroborate in a magnetic field of ∼5 kOe applied in the basal ab plane of the crystal has been found. A close relation of this effect to anomalies in the field dependence of the electric polarization has been established. It has been shown that this magnetodielectric effect is due to the contribution to ɛ from the electric susceptibility, which is related to the rotation of spins in the ab plane, arises in the region of the antiferromagnetic ordering T < T _N = 33 K, and is suppressed by the magnetic field. A theoretical model describing the main features of the behavior of ɛ and electric polarization in the magnetic field has been proposed, taking into account the additional anisotropy in the basal plane induced by the magnetoelastic stresses.     

Dielectric properties,ionic conductivity and phase transitions in La<Subscript>2</Subscript>Mo<Subscript>2</Subscript>O<Subscript>9</Subscript> ceramics

The dspersion dielectric permeability and ion conductivity of La₂Mo₂O₉ ceramics was studied. It was established that the observed low-frequency dielectric dispersion is due to relaxation effects related to high ion conductivity. It is shown that the phase transition in La₂Mo₂O₉ has characteristic features of a superionic phase transition.     

Structural,Electronic, and Optical Properties of Cubic Y<Subscript>2</Subscript>O<Subscript>3</Subscript>: First-Principles Calculations

Structural, electronic, and optical properties of cubic Y₂O₃ were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The ground-state properties were calculated and these results were in good agreement with the previous work. Furthermore, in order to understand the optical properties of cubic Y₂O₃, the complex dielectric function, refractive index, extinction coefficient, optical reflectivity, absorption coefficient, energy-loss function, and complex conductivity function were calculated, which were in favorable agreement with the theoretical and experimental values. We explained the origin of the absorption peaks using the theories of crystal-field and molecular-orbital bonding and investigated the relation between electronic structure and optical properties.     

Magnetic structure and phase diagram of Sr<Subscript>5</Subscript>Rh<Subscript>4</Subscript>O<Subscript>12</Subscript> frustrated Ising magnet

The magnetic structure of Sr₅Rh₄O₁₂ is based on Ising chains of rhodium ions with a variable valence, Rh³⁺-Rh⁴⁺. The ordering in the chains is assumed to be ferromagnetic. It has been shown that the magnetic structure and phase diagram of Sr₅Rh₄O₁₂ are well described in a model taking into account weak antiferromagnetic interactions between the nearest and next-nearest neighbors on the triangular lattice of ferromagnetic Ising chains. The ground state at low temperatures is the two-sublattice stripe phase; this phase in the magnetic field is transformed to the ferrimagnetic phase and, then, to the ferromagnetic phase. Small plateaus can be observed in the region of the transition from the ferrimagnetic phase to the ferromagnetic one.     

Polarization modes in the Ba<Subscript>2</Subscript>Mg<Subscript>2</Subscript>Fe1<Subscript>2</Subscript>O<Subscript>22</Subscript> multiferroic

The spectra of complex permittivity of a Ba₂Mg₂Fe₁₂O₂₂ single crystal belonging to the family of Y-type hexaferrites have been measured over a wide temperature range (10–300 K) with the aim of determining the dynamic parameters of the phonon and magnetic subsystems in the terahertz and infrared frequency ranges (3–4500 cm⁻¹). A factor-group analysis of the vibrational modes has been performed, and the results obtained have been compared with the experimentally observed resonances. The oscillator parameters of all nineteen phonon modes of E _u symmetry, which are allowed by the symmetry of the Ba₂Mg₂Fe₁₂O₂₂ crystal lattice, have been calculated. It has been found that, at temperatures below 195 and 50 K, the spectral response exhibits new absorption lines due to magnetic excitations.     

Influence of K<Subscript>2</Subscript>Ti<Subscript>6</Subscript>O<Subscript>13</Subscript> on dielectric and barrier properties of polymer

Polymer composite comprising polyvinylidene fluoride (PVDF) and potassium hexatitante (K₂Ti₆O₁₃) was synthesized by solution casting. The effect of K₂Ti₆O₁₃ on surface, thermal, and electrical properties of polymer composite were investigated. The addition of K₂Ti₆O₁₃ with polymer leads to thermal degradation and transition of polymer composite from semi-crystalline to amorphous phase. The optimum results of contact angle for different loading wt% of K₂Ti₆O₁₃ were directly correlated with the surface morphology. Our experimental results confirmed the incorporation of K₂Ti₆O₁₃ in polymer by SEM micrographs. The evaluated dielectric properties (ε' = 424; tan δ = 2.14 at 130 °C and 100 Hz frequency for 20 wt% loading of K₂Ti₆O₁₃) for polymer composite are higher in compared to pure polymer. The enhancement in dielectric constant and changing the surface properties of polymer composite can be used for the development of electrochemical storage device applications.     

Structure,lattice dynamics,and exchange interaction in Lu<Subscript>2</Subscript>V<Subscript>2</Subscript>O<Subscript>7</Subscript>, Y<Subscript>2</Subscript>V<Subscript>2</Subscript>O<Subscript>7</Subscript>: an ab initio approach

Ab initio calculations of the crystal structure and fundamental vibrations of vanadium pyrochlores Lu₂V₂O₇ and Y₂V₂O₇ are performed. The calculations are performed in the framework of the density functional theory (DFT) with the use of hybrid functionals. The ions involved in the vibrations are determined by the isotope substitution method. Values of the isotropic exchange interaction constant were calculated. Theoretical results for the crystal structure parameters, the vibrational frequencies, and the isotropic exchange interaction parameter are compared with the experimental data.     

Polarization processes in BaBi<Subscript>2</Subscript>Nb<Subscript>2</Subscript>O<Subscript>9</Subscript> and SrBi<Subscript>2</Subscript>Ta<Subscript>2</Subscript>O<Subscript>9</Subscript> ceramics in infralow-frequency fields

The dielectric nonlinearity in BaBi₂Nb₂O₉ and SrBi₂Ta₂O₉ layered ceramics was studied by measuring their polarization loops and reverse dependences of permittivity. It was shown that the features of the dielectric response of BaBi₂Nb₂O₉ and SrBi₂Ta₂O₉ in strong fields can be explained by glass-like properties and the contribution of the domain structure of the ferroelectric material to repolarization processes, respectively.     

Investigation on lithium ion conductivity and structural stability of yttrium-substituted Li<Subscript>7</Subscript>La<Subscript>3</Subscript>Zr<Subscript>2</Subscript>O<Subscript>12</Subscript>

Advanced Li-air battery architecture demands a high Li⁺ conductive solid electrolyte membrane that is electrochemically stable against metallic lithium and aqueous electrolyte. In this work, an investigation has been carried out on the microstructure, Li⁺ conduction behaviour and structural stability of Li₇La_3-x Y _x Zr₂O₁₂ (x = 0.125, 0.25 and 0.50) prepared by conventional solid-state reaction technique. The phase analysis of Li₇La_3-x Y _x Zr₂O₁₂ (x = 0.125, 0.25 and 0.50) sintered at 1200 °C by powder X-ray diffraction (PXRD) and Raman confirms the formation of high Li⁺ conductive cubic phase (\( Ia\overline{3}d \)) lithium garnets. Among the investigated lithium garnets, Li₇La_2.75Y_0.25Zr₂O₁₂ sintered at 1200 °C exhibits a maximized room temperature total (bulk + grain boundary) Li⁺ conductivity of 3.21 × 10^?4 S cm^?1 along with improved relative density of 96 %. The preliminary investigation on the structural stability of Li₇La_2.75Y_0.25Zr₂O₁₂ in the solutions of 1 M LiCl, dist. H₂O and 1 M LiOH at 30 °C/50 °C indicates that the Li₇La_2.75Y_0.25Zr₂O₁₂ is relatively stable against 1 M LiCl and dist. H₂O. Further electrochemical investigation is essential for practical application of Li₇La_2.75Y_0.25Zr₂O₁₂ as protective solid electrolyte membrane in aqueous Li-air battery.