High-temperature study of SrFe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Mo<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3−<Emphasis Type="Italic">z</Emphasis></Subscript> perovskites

The structure of high-temperature SrFe_{1 − x} Mo _x O_{3 − z} (0 ≤ x ≤ 0.5) phases was studied. Such studies are necessary to understand the mechanism of oxygen transport in membrane materials used for high-temperature oxygen separation.     

Morphology and composition tailoring of Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript>3 − <Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>4</Subscript> nanoparticles

Nano-octahedra of cobalt ferrite Co _x Fe_3???xO₄ (1?≤?x?<?2), with a broad size distribution around 15–20 nm, were synthesized by a hydrothermal method using nitrates as precursors. For the first time, single-phased nano-octahedra of cobalt-rich ferrite Co _x Fe_3???xO₄ (x?=?1.5) were synthesized. The nano-octahedra are crystallized in a normal spinel structure, with tetrahedral sites occupied by Co²⁺. This specific octahedral shape was obtained with anionic, cationic, and nonionic surfactants. The nature of the surfactant influenced the chemical composition of the powder and the size of the nano-octahedra. The {100} truncation of the octahedra is more pronounced for the small particles. For the first time, single-phased nanoparticles with as much as x?=?1.8 cobalt were synthesized with ethylene glycol as solvent. These nanoparticles, around 8 nm in size, have no specific shape and possess a lacunar spinel structure similar to maghemite. The samples were characterized by X-ray diffraction, transmission electron microscopy, and energy-dispersive spectroscopy.

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Charge density of Ga<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Sb

Charge density calculations and electronic band structures for Ga _x Al_{1 − x} Sb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25 A ₀ by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.      

Electronic structure and ground state parameters of Ru<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript><Emphasis Type="Italic">Me</Emphasis><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al refractory alloys

The electronic structure and ground state parameters of B2 RuAl-based refractory alloys have been investigated in the framework of the density functional theory using the exact muffin-tin orbital method in combination with the coherent potential approximation. It has been demonstrated that the number of states at the Fermi level for the Ru_{1 − x} Me _x Al alloys as a function of the alloying metal content has a minimum, which indicates a change in the Fermi surface topology and the presence of specific features in the behavior of elastic constants. It has been concluded that the electronic structure of the alloys can be described in terms of the rigid band model. The nonlinear variations of the lattice parameters of the alloys has been explained.     

Hall effect in the Ce(Al<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript> heavy-fermion system

The influence of substitution on the binding energy of many-body states and the formation of the magnetically ordered state in a heavy-fermion compound (CeAl₂) have been studied by measuring the transport characteristics (Hall effect, resistivity) in intermetallic compounds of the Ce(Al_1?x M _x )₂ system (M = Ni, Co; x ≤ 0.08). It is established that the Hall coefficient R _H in Ce(Al_1?x Co _x )₂ intermetallides with x = 0.05 and 0.08 grows by more than an order of magnitude as the temperature decreases from 1.8 to 300 K. The experimental data are used to estimate the effective mass of charge carriers, the relaxation time, and the localization radius of many-body states.     

X-ray,Mössbauer,and magnetic research of system Y(Fe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript> alloys

The structural transformations and magnetic phase transitions in the quasibinary system Y(Fe_{1 ? x} Al _x )₂ have been investigated by Mössbauer spectroscopy, X-ray diffractometry, and magnetic measurements of polycrystals.     

Phase transitions and dielectric relaxation in (1 − <Emphasis Type="Italic">x</Emphasis>)SrTiO<Subscript>3</Subscript>-<Emphasis Type="Italic">x</Emphasis>BiFeO<Subscript>3</Subscript> (0 ≤ <Emphasis Type="Italic">x</Emphasis> ≤ 0.04)

The dielectric and acoustic properties of (1 − x)SrTiO₃-xBiFeO₃ (0 ≤ x ≤ 0.04) solid solutions have been studied in the temperature range 10–300 K. The polar state exhibiting permittivity dispersion and dielectric hysteresis loops has been revealed at temperatures of 40–100 K. At 20–40 K, we have observed one more dielectric relaxation, which is not associated with the polar state and vanishes at a concentration of the second solid-solution component x = 0.04. The antiferrodistorsive transition has been found to vary with increasing concentration x. At temperatures below the antiferrodistorsive transition point, the polar (relaxor) state has been shown to persist in all the measured solid solutions.     

X-ray spectra and electronic band structure of nitrogen in Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>N solid solid solutions

The electronic energy structure of the valence band and the x-ray absorption near edge structure (XANES) region of nitrogen in Al _x Ga_1?x N solid solutions and binary crystals of gallium nitride GaN and aluminum nitride AlN are calculated using the local coherent potential method and the cluster version of the muffin-tin approximation within the framework of the multiple scattering theory. It is demonstrated that the calculated electron densities of states correlate with the nitrogen K x-ray emission and nitrogen K x-ray absorption spectra. The electronic energy structure of the top of the valence band and the XANES region in Al _x Ga_1?x N solid solutions are compared with those in the binary crystals of the GaN and AlN nitrides, and an interpretation of their specific features is proposed. An analogy is drawn between the evolution of the electronic energy structure of the valence band and the XANES region in the alloys under investigation and the evolution of the electronic band structure in the Al _x B_1?x N and B _x Ga_1?x N alloys. General trends in the transformation of the structure and variations in properties of these alloys are discussed.     

Ordered phases of lithium nickelite Li<Subscript>1−<Emphasis Type="Italic">x</Emphasis>−<Emphasis Type="Italic">z</Emphasis></Subscript>Ni<Subscript>1+<Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>2</Subscript>

A symmetry analysis of ordering in lithium nickelite Li_1?x?zNi_1+xO₂ (Li_1?x?z□_yNi_1+xO₂) was performed with regard to the substitution of Li and Ni atoms and the occurrence of structural vacancies □ in the metal sublattice. For all the ordered phases, the k ₉ ⁽³⁾ ray of the Lifshitz {k₉} star is present in the order-disorder transition channel. This ray determines the consecutive alternation of atomic planes filled with only Ni atoms or only Li atoms and vacancies in the \([1\bar 11]_{B1} \) direction. It was shown that the rhombohedral ordered LiNiO₂ phase is formed in the defect-free lithium nickelite, whereas a family of three monoclinic Li₃□Ni₄O₈ (C2/m space group) and Li₂□Ni₃O₆ (C2/m and C2 space groups) superstructures arises as the concentration of structural vacancies increases. For all the superstructures, the order-disorder phase-transition channels were determined and the distribution functions of Li and Ni atoms have been calculated. The long-range order parameters describing each superstructure were found as functions of the Li_{1?x? z}Ni_1+xO₂ composition.     

Phase transitions and magnetoelectric coupling in BiFe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Zn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript> multiferroics

Multiferroic BiFe_1?xZn _x O₃ ceramics were prepared by solution combustion method. Their structure, magnetoelectric, dielectric, magnetic, thermal characteristics were studied. The magnetic M(T) and heat capacity C _p (T) measurements demonstrate an antiferromagnetic to paramagnetic phase transition (T _N ) around 635 K. The anomaly on the temperature dependence of the dielectric constant near T _N was observed, which could be induced by the magnetoelectric coupling between electric and magnetic ordering. The magnetoelectric behavior was also confirmed by the linear relation between Δε and M², which is in the agreement of the Ginzburg-Landau theory for the second-order phase transition.     

Anomalous magnetotransport in LaMn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Te<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript>

The LaMn_1−x Te _x O_3+δ (x=0.1, 0.2, 0.3) were synthesized using solid-state reaction method for the first time. X-ray photoemission spectrum (XPS) shows that in the samples the Te ions have a valence of Te⁴⁺, and Mn³⁺ ions are partly converted into Mn²⁺ and Mn⁴⁺ due to the excess oxygen and Te doping. The magnetotransport associated with Mn²⁺, Mn³⁺ and Mn⁴⁺ was investigated. The experimental results show that the samples are insulator at 0 T when the amount of Mn³⁺ is much larger or less than the sum of Mn²⁺ and Mn⁴⁺; by contrast, the samples display metal to insulator transition with increasing temperature when the amount of Mn³⁺ is close to the sum of Mn²⁺ and Mn⁴⁺. These anomalous magnetotransport behaviors were analyzed in the frame of the double-exchange (DE) mechanism. Supported by the National Major Fundamental Research Program of China (Grant No. G1998061412) and the Foundation for Fostering Elitists of Beijing, China (Grant No. 20071D1100500379)     

Higher <Emphasis Type="Italic">η</Emphasis><Subscript>c</Subscript>(<Emphasis Type="Italic">nS</Emphasis>) and <Emphasis Type="Italic">η</Emphasis><Subscript>b</Subscript>(<Emphasis Type="Italic">nS</Emphasis>) mesons

The hyperfine splittings in heavy quarkonia are studied in a model-independent way using experimental data on dielectron widths. Relativistic correlations are taken into account together with the smearing of spin-spin interaction. The radius of smearing is fixed by known G/ψ−η _c(1S), ψ(2S)−η _c′(2S) splittings, which appears to be small, r _ss ≅ 0.06 fm. Nevertheless, even with such a small radius, substantial suppression of hyperfine splittings (∼50%) is observed in bottomonium. For nS b states (n = 1, 2, ..., 6), our predicted splittings (in MeV) are 28, 12, 10, 5, 6, 3. For the 3S and 4S charmonium states, the splittings 16(2) and 12(4) MeV are obtained. The text was submitted by the authors in English.     

Formation of a cluster structure in the PbZr<Subscript>1 – <Emphasis Type="Italic">x</Emphasis> </Subscript>Ti<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>O<Subscript>3</Subscript> system

Microdeformations of the crystal lattices in the phombohedral and tetragonal regions of the PbZr_1–xTi_xO₃ phase diagram have been calculated and their dependences on the titanium concentration have been constructed. Based on an analysis of these dependences, it has been concluded that tetragonal-phase clusters form in the range 0.11< x < 0.12 and rhombohedral-phase clusters form in the range 0.725 < x < 0.750.     

Structure and dielectric response of (1–<Emphasis Type="Italic">x</Emphasis>)NaNO<Subscript>2</Subscript> + <Emphasis Type="Italic">x</Emphasis>BaTiO<Subscript>3</Subscript> composites at <Emphasis Type="Italic">x</Emphasis> = 0.05 and 0.1

The (1–x)NaNO₂ + xBaTiO₃ composites of two compositions (x = 0.05 and 0.1) have been studied by powder neutron diffraction and broadband dielectric spectroscopy (frequency region 10^–1–10⁷ Hz). The temperature dependences of the ferroelectric order parameter of NaNO₂ in the composites and pure NaNO₂ have been measured. The frequency dependences of the real and imaginary parts of the permittivities of the composites and pure NaNO₂ have been analyzed in the temperature range 25–187°C. The anomaly of the dielectric response observed at T ~ 147°C is assumed to be related to the processes of accumulation and “resolution” of charges at the BaTiO₃ particle boundaries.     

Crystal structure and magnetic susceptibility of (CuInSe<Subscript>2</Subscript>)<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>(2MnSe)<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

The crystal structure of samples in the (CuInSe₂)_{1 ? x} (2MnSe) _x system at room temperature and their magnetic susceptibility in the temperature range 77–1000 K are investigated. It is established that compositions with concentrations 0≤ x ≤ 0.2 form solid solutions with a tetragonal structure, space group I \(\bar 4\)2d (122). The specific magnetic susceptibility χ of samples with 0.1 ≤ x ≤ 0.4 at 77 K lies in the range 9 × 10^?4?1.6 × 10^t-3cm³/g. The temperature dependence of the inverse magnetic susceptibility of the sample with x = 0.4 suggests the presence of a component with antiferromagnetic ordering and a reliably measured Néel temperature that is characteristic of MnSe. The dependences χ = f(T) of the compositions with x = 0.1, 0.2, 0.3, and 0.4 indicate the occurrence of magnetic phase transitions with a change in the spin state.     

Magnetocaloric effect in La(Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>13</Subscript> ferromagnets

The isothermal changes in the magnetic entropy and the lattice entropy and the adiabatic temperature change in La(Fe_0.88Si_0.12)₁₃ and La(Fe_0.86Si_0.14)₁₃ ferromagnets in a magnetic field are calculated. The calculations are performed with a generalized magnetostriction model of a ferromagnet; the calculation results are compared to experimental data. It is shown that the change in the lattice entropy decreases the magnetocaloric effect and makes it possible to explain the experimental data obtained for La(Fe _x Si_{1 − x} )₁₃ (x = 0.86, 0.88) ferromagnets. The temperature dependences of the bulk compression moduli of these ferromagnets are calculated, and these dependences indicate a strong lattice softening in the vicinity of the magnetic phase transition in them. The thermal expansion coefficient and some magnetic properties of the ferromagnet with x = 0.86 are measured to determine the numerical values of the parameters entering into calculation formulas.     

Mössbauer studies of multiferroics BiFe<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript> (<Emphasis Type="Italic">x</Emphasis> = 0–0.20)

The Mössbauer studies on ⁵⁷Fe nuclei in multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) have been performed at room temperature. The multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) with the rhombohedral R3c structure have been prepared by solid-state synthesis under high pressures. The effect of substitution of Cr cations for Fe cations on the spatial spin-modulated structure, and also hyperfine electrical and magnetic interactions of ⁵⁷Fe nuclei has been studied. The substituted ferrites demonstrate an anharmonic modulated spin structure of cycloid type, in which iron atoms with different cation environments take part. The anharmonism parameter of the cycloid linearly increases from m = 0.10 at x = 0 to m = 0.78 ± 0.02 at x = 0.20. The constants of magnetic uniaxial anisotropy K _u are estimated at room temperature: K _u ≈ 0.36 × 10⁶ erg/cm³ at x = 0 and K _u ≈ 4.22 × 10⁶ erg/cm³ at x = 0.20.     

Calorimetry of (1 − <Emphasis Type="Italic">x</Emphasis>)BaTiO<Subscript>3</Subscript>-<Emphasis Type="Italic">x</Emphasis>Ba(Mg<Subscript>1/3</Subscript>Nb<Subscript>2/3</Subscript>)O<Subscript>3</Subscript> solid solutions

Phase transitions in ceramic samples of (1 ? x)BaTiO₃-xBa(Mg_1/3Nb_2/3)O₃ solid solutions were studied by differential scanning calorimetry for x = 0, 0.01, 0.02, and 0.03 in the temperature ranges 255–290 K and 310–410 K. The experimental data obtained were used to derive the thermodynamic parameters of the phase transitions occurring at T _c ≈ 400?300 K and T ₁ ≈ 290?300 K and construct the concentration phase diagram.     

Knight shift in superconducting oxides BaPb<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Bi<Subscript>x</Subscript>O<Subscript>3</Subscript> (<Emphasis Type="Italic">x</Emphasis> < 0.35)

The Knight shift ²⁰⁷K_s for the ²⁰⁷Pb nuclei in the metal phase of the oxides BaPb_1?xBi_xO₃ (x < 0.35) has been analyzed as a function of the concentration. The shift, which is proportional to the density of states near the Fermi energy: ²⁰⁷K_s ～ N(E_F), reaches a maximum for an oxide with the maximum superconducting transition temperature T_c(x ≈ 0.25) = 12 K. A significant increase in the width of the shift distribution with the Bi concentration testifies to the formation of a nonuniform state of the electronic system in the conduction band of superconducting oxides, which is accompanied by an increase in short-wavelength contributions to the spin susceptibility. To detect the ²⁰⁷Pb NMR spectra in superconducting oxides with x > 0.2, the ¹⁷O-²⁰⁷Pb spin-echo double-resonance method is used, which provides successful detection of the ²⁰⁷Pb NMR signal with an anomalously high rate of spin-spin relaxation T ₂ ^?1 > 500 ms^?1. Thus, fundamental restrictions arising in investigations of rapidly relaxing ²⁰⁷Pb nuclei, which are “unobservable” in superconducting oxides BaPb_1?xBi_xO₃ when they are studied by traditional single-resonance methods of pulse NMR spectroscopy, have been overcome.     

Magnetostriction of Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S (<Emphasis Type="Italic">x</Emphasis> = 0.27) crystals

The magnetostriction of Fe _x Mn_{1 − x} S (x = 0.27) single crystals in strong magnetic fields up to 120 kOe has been investigated. It has been found that the magnetostriction reaches colossal values (±3 × 10⁻⁴) atypical of compounds of 3d elements. It has been found that the magnetostriction changes sign when varying temperature and magnetic field; this behavior indicates an important role of the spin-phonon interactions in the formation of the magnetic order in solid solutions of iron-manganese sulfides.