Mixed electrical conduction in Ce1−xCaxO2−x

The solid electrolyte Ce_1?xCa_xO_2-?x with the fluorite-type structure (Ca-doped CeO₂) is a mixed conductor. Conduction occurs predominantly by migration of O^2? ions via oxygen vacancies or by electrons, depending on the departure from stoichiometry. The ionic transference number σ_i/σ_i + σ_e was determined as a function of dopant concentration (0.07?x?0.15), temperature (400–800°C), and oxygen pressure by emf measurements with oxygen concentration cells. It is described by

The entropy term S¹(x) changes from 38.7k for x = 0.07 to 31.7k for x = 0.15; the enthalpy term, 5.42 eV, is independent of x and in excellent accord with semi-empirical calculations.     

Magnetic susceptibility of liquid Na1−xSbxalloys

The magnetic susceptibility of liquid NaSb alloys was measured in a temperature range between 600°C and 1100°C. The NaSb system is supposed to exhibit, as does the CsSb system, a metal to semiconductor transition dependent upon composition. A relatively strong diamagnetic minimum of x = ?26 × 10^?6 cm³/mol was found near the composition of the stoichiometric formula Na₃Sb. This minimal susceptibility can be relatively well described with an ionic type binding model.     

Co-L3 X-ray absorption near-edge structure analysis of Pr1−xCaxCoO3−δ and Pr1−xSrxCoO3−δ

The valence state of Co ions in Pr_1−xCa_xCoO_3−δ and Pr_1−xSr_xCoO_3−δ has been investigated by an analysis of the Co-L₃ X-ray absorption near-edge structure (XANES) profile. The observed intensity distributions of Co-L₃ XANES change continuously with increasing concentration of alkaline-earth ions. To investigate the origin of this change in the XANES profile, charge transfer multiplet calculations were carried out, which could successfully explain the change in the spectral profile; they also suggest that the valence state of Co ions in Pr_1−xCa_xCoO_3−δ and Pr_1−xSr_xCoO_3−δ is between 3+ and 4+ and increases gradually with the concentration of alkaline-earth ions.     

Structure and magnetism in Ho1−xSrxCoO3−δ

We have magnetically and structurally characterized the Ho_1−xSr_xCoO_3−δ family of materials where 0.67≤x≤0.95. The solid solution range and evolution of the structure as a function of x is established and correlated with the broad range of magnetic behavior observed. The structure is shown to be tetragonal I4/mmm although is possibly cubic when x=0.95. For 0.67≤x≤0.9 the material shows antiferromagnetic long range order and ferromagnetic clusters. At x=0.95 the magnetic transition is at 120 K and the imaginary susceptibility becomes non-zero and the temperature of the cusp in the ac susceptibility shows a frequency dependence indicative of glassiness.     

Structural and electronic properties of zinc blende BxAl1−xNyP1−y quaternary alloys via ?rst-principle calculations

The structural and electronic properties of cubic zinc blende BN, BP, AlN and AlP compounds and their B_xAl_1−xN_yP_1−y quaternary alloys, have been calculated using the non relativistic full-potential linearized-augmented plane wave FP-LAPW method. The exchange-correlation potential is treated with the local density approximation of Perdew and Wang (LDA-PW) as well as the generalized gradient approximation (GGA) of Perdew-Burke and Ernzerhof (GGA-PBE). The calculated structural properties of BN, BP, AlN and AlP compounds are in good agreement with the available experimental and theoretical data. A nonlinear variation of compositions x and y with the lattice constants, bulk modulus, direct and indirect band gaps is found. The calculated bowing of the fundamental band gaps is in good agreement with the available experimental and theoretical value. To our knowledge this is the first quantitative theoretical investigation on B_xAl_1−xN_yP_1−y quaternary alloy and still awaits experimental confirmations.     

Electrical conductivity and structural stability of SrCo1−xFexO3−δ

Perovskite compounds in the system of SrCo_1−xFe_xO_3−δ (x=0.2, 0.4 and 0.6) were synthesized by solid state reaction. SrCo_1−xFe_xO_3−δ shows the p-type small polaron conduction behavior. Electrical conductivity and oxygen vacancy content decrease with increase in Fe content. The incorporation of Fe increases the structural stability of SrCo_1−xFe_xO_3−δ at low temperatures, while decreasing the structural stability at high temperatures. Oxygen partial pressure has a strong influence on electrical conductivity. At low oxygen partial pressure, SrCo_0.8Fe_0.2O_3−δ will transform from cubic to orthorhombic structure. This structure can remain in 5%H₂/Ar only for a short time and then dissociates into Sr₃Fe₂O_6.64 and Co due to the reduction of B-site elements.     

TE1n /TM1n激励圆锥喇叭辐射功率测量方法

研究了TE1n /TM1n模式激励的圆形口径喇叭天线的辐射场特征,导出了根据辐射场计算天线辐射总功率的方法:通过测定天线E面和H面的辐射场功率密度分布,分别进行球冠积分,其平均值即为天线的辐射总功率;并进行了数值仿真验证。分析了测量角度范围和测量点数目对测量功率的影响,提出了通过数据拟合来降低测量误差的一种方法;给出了测量角度范围和测量点数的选取原则,功率测量可在15 dB或18 dB波束宽度范围内进行,测量点数一般选15个左右。     

Exact PsTd invariant and PsTd symmetric breaking solutions,symmetry reductions and Bäcklund transformations for an AB–KdV system

In natural and social science, many events happened at different space–times may be closely correlated. Two events, A (Alice) and B (Bob) are defined as correlated if one event is determined by another, say, $B=\stackrel{?}{f}A$ for suitable $\stackrel{?}{f}$ operators. A nonlocal AB–KdV system with shifted-parity ($P_s$, parity with a shift), delayed time reversal ($T_d$, time reversal with a delay) symmetry where $B=\stackrel{?}{P_s}\stackrel{?}{T_d}A$ is constructed directly from the normal KdV equation to describe two-area physical event. The exact solutions of the AB–KdV system, including $P_s{T}_d$ invariant and $P_s{T}_d$ symmetric breaking solutions are shown by different methods. The $P_s{T}_d$ invariant solution show that the event happened at A will happen also at B. These solutions, such as single soliton solutions, infinitely many singular soliton solutions, soliton–cnoidal wave interaction solutions, and symmetry reduction solutions etc., show the AB–KdV system possesses rich structures. Also, a special Bäcklund transformation related to residual symmetry is presented via the localization of the residual symmetry to find interaction solutions between the solitons and other types of the AB–KdV system.     

High temperature transport and thermoelectric properties of Ca3−xErxCo4O9+δ

Ca_3−xEr_xCo₄O_9+δ (x=0, 0.05, 0.15, 0.3 and 0.5) samples were prepared using a sol-gel method followed by hot-pressing sintering technique. Powder X-ray diffraction analysis showed the single-phases of Ca_3−xEr_xCo₄O_9+δ were obtained up to x=0.3 and the crystallinity of the samples decreased with increasing Er-doping amount. The high-temperature (323-1073 K) thermoelectric properties of the samples were investigated. The substitution of Er³⁺ for Ca²⁺ resulted in the decrease of electrical conductivity, thermal conductivity and the increase of Seebeck coefficient for all the samples except the x=0.05 one. The dimensionless figure of merit ZT reached 0.28 at 1073 K for Ca_2.7Er_0.3Co₄O_9+δ, indicating the thermoelectric properties of CaCo₄O_9+δ can be enhanced by doping Er in the system.     

Studies on sintering of solid state synthesized Ba1−xKxBiO3−δ superconducting phase

Superconducting Ba_1−xK_xBiO_3−δ pellets were synthesized by solid state reaction followed by sintering. Thermo-gravimetric and differential thermo-gravimetric analysis (TG-DTA) of the mixture of nitrates was carried out to study the reactions during the phase formation. The effect of different sintering temperatures on the phase formation was studied. The X-ray diffraction data confirms the formation of superconducting Ba_0.6K_0.4BiO_2.23 phase at 700 °C. The surface morphological studies as a function of sintering temperature were studied by SEM. It is observed that the pellets prepared by solid state reaction followed its sintering at 700°C shows the superconducting transition at 26.8 K.     

Luminescence studies of a combustion-synthesized blue–green BaAlxOy:Eu,Dy nanoparticles

Blue–green emitting BaAl_xO_y:Eu²⁺,Dy³⁺ phosphor was synthesized by the combustion method. The influence of various parameters on the structural, photoluminescence (PL) and thermoluminescence (TL) properties of the phosphor were investigated by various techniques. Phosphor nanocrystallites with high brightness were obtained without significantly changing the crystalline structure of the host. In the PL studies, broad-band excitation and emission spectra were observed with major peaks at 340 and 505 nm, respectively. The observed afterglow is ascribed to the generation of suitable traps due to the presence of the co-doped Dy³⁺ ions. Though generally broad, the peak structure of the TL glow curves obtained after irradiation with UV light was non-uniform with suggesting the contribution to afterglow from multiple events at the luminescent centers. Further insight on the afterglow behavior of the phosphor was deduced from TL decay results.     

Synthesis and magnetic properties of Co1−xZnxFe2O4+γ nanoparticles as materials for magnetic fluid hyperthermia

Nanoparticles of the single spinel phase Co_1−xZn_xFe₂O_4+γ of mean size 3-23 nm, as determined by X-ray diffraction analysis, were synthesized by the co-precipitation method followed by a temperature treatment. Magnetic studies carried out in the range of 4.5-550 K revealed gradual transition from ferrimagnetic to superparamagnetic to paramagnetic behaviour depending on the composition and particle size. The observed behaviour indicates a broad distribution of volume sizes of the nanoparticles. Particular importance can be ascribed to the composition of x=0.6 where the observed transition temperature to the paramagnetic state at 310-334 K suggests applicability of this material for magnetic fluid hyperthermia in a self-controlled regime.     

Σu and Πu states of the hydrogen molecule: Nonadiabatic couplings and vibrational levels

Nonadiabatic coupling matrix elements are computed for six lowest and four lowest ¹Π_u electronic states of H₂ in a wide range of internuclear distances. These matrix elements are used together with the adiabatic potentials to determine the bound ro-vibrational levels of the 10 electronic states for rotational quantum numbers J ? 10. The computed energies agree quite well with existing experimental term values. However, some of the experimental levels should be assigned differently.     

Manifestation of vortex depinning transition in nonlinear current-voltage characteristics of polycrystalline superconductor Y1−xPrxBa2Cu3O7−δ

We present our recent results on the temperature dependence of current-voltage characteristics for polycrystalline Y_1−xPr_xBa₂Cu₃O_7−δ superconductors with x=0.0, 0.1 and 0.3. The experimental results are found to be reasonably well fitted for all samples by a power like law of the form V=R(I−Ic)^a(T). Here, we assume that a(T)=1+Φ₀IC(T)/2πkBT and IC(T)=IC(0)(1−T/TC)^3/2 for the temperature dependences of the power exponent and critical current, respectively. According to the theoretical interpretation of the obtained results, nonlinear deviation of our current-voltage characteristics curves from Ohmic behavior (with a(TC)=1) below TC is attributed to the manifestation of dissipation processes. They have a characteristic temperature Tp defined via the power exponent as a(Tp)=2 and are related to the current induced depinning of Abrikosov vortices. Both TC(x) and Tp(x) are found to decrease with an increase of Pr concentration x reflecting deterioration of the superconducting properties of the doped samples.     

Excitons in cylindrical GaAs–Ga1−xAlxAs quantum dots under applied electric field

The exciton binding energy and photoluminescence energy transition in a GaAs-Ga_1−xAl_xAs cylindrical quantum dot are studied with the use of the effective mass approximation and a variational calculation procedure. The influence of these properties on the application of an electric field along the growth direction of the cylinder is particularly considered. It is shown that for zero applied field the binding energy and the photoluminescence energy transition are decreasing functions of the quantum dot radius and height. Given a fixed geometric configuration, both quantities then become decreasing functions of the electric field strength as well.     

The effect of La-substitution on magnetic properties of nanosized Sr1−xLaxTi0.05Zn0.2(Fe)11.75−δ(Fe)δO19 powders

A series of La-substituted M-type Sr hexaferrite powders Sr_1−xLa_xTi_0.05Zn_0.2Fe³⁺_11.75O₁₉, wherein x ranges from 0.1 to 0.5 with a step of 0.1, have been prepared by the conventional ceramic method and were then milled in a high energy mill to prepare nanosized powders. XRD investigation of the calcined and the milled powders shows that single phase hexaferrite structure has been formed after calcining and has not changed after milling. The lattice parameters and the mean crystallite sizes of the samples have been determined from the XRD data and Scherrer's formula. The results show that the lattice parameters (“а” and “c”) decrease with increase in La-substitution and the mean crystallite size of the milled powders is about 17 nm. Coercivities and magnetizations of the samples in a magnetic field of 16 kOe have been determined from the room temperature hysteresis loops. It was found that both parameters increase with La substitutions up to 0.3 and then decrease for higher substitutions. These variations were attributed to the enhancement of hyperfine field and spin-canting magnetic structure when La content increases. In addition, the magnetizations were smaller for the nanosized samples in comparison with those of bulk ones, which were discussed according to the core-shell model. Also the results show that annealing of the nanosized samples up to 500 °C can enhance coercivity and magnetization of the samples, which is discussed based on crystallite size growth.     

Monolayer aspects of high-resolution αs-plots

The problem of the estimation of high resolution comparative plots (α_s method) is revised. Adsorption isotherms of Ar (T = 87 K) are simulated (GCMC) on the bundles of closed and opened multiwalled carbon nanotubes. Those materials are chosen in order to observe the influence of porosity on Ar adsorption, and consequently, on the comparative plots. The introduction of the structural heterogeneity (defects in the external and internal walls of osculating and separated nanotubes) is also studied. The monolayer and multilayer parts of adsorption are extracted from the total amount adsorbed for all studied adsorbents and the reference one (the bundle of the ideal 3-layered carbon tubes with very wide diameters). The significant influence of the distance between carbon nanotubes and defects (in the external and internal walls) is observed on the monolayer α_s-plots. In the case of comparative plots calculated for the multilayer adsorption the differences are also visible; however, the expected linear dependence of the amount adsorbed on a porous solid plotted against the amount adsorbed on a reference nonporous solid (the layer-by-layer adsorption occurs on both solid surfaces) in a wide range of relative pressures is not observed. The obtained results demonstrate the complexity of α_s method when both microporosity and surface heterogeneity are present. A comparison of isotherms shows that for the studied adsorbents Ar is sensitive to the appearance of the geometrical and structural defects, even at low coverage.     

Cusps in KL→3π decays

The pronounced cusp in K→3π decays which is generated by the pion mass difference is directly related to the ππS-wave scattering lengths. We apply a nonrelativistic effective field theory framework to evaluate the amplitudes for K_L→3π decays in a systematic manner. Electromagnetic effects in the neutral channel K_L→3π⁰ are also discussed.     

Perpendicular magnetic anisotropy and magnetic proximity effect in Pt1−δFeδ/Co multilayer films

The perpendicular magnetic anisotropy (PMA) and magnetization in Pt_1−δFe_δ/Co (δ=0, 0.017, 0.04 and 0.06) multilayer films have been investigated. It is found that, on adding a small amount of Fe into the Pt layers, Pt/Co multilayer films maintain well-defined PMA at both 5 and 300 K along with significantly enhanced magnetization even at room temperature, which is far greater than the Curie temperature of Pt_1−δFe_δ dilute alloys. Further study demonstrates that the large enhancement of the magnetization in the Fe doped Pt/Co multilayers at 300 K arises from the bulk moment of the Pt_1−δFe_δ layers at the interface region, where the ferromagnetic order persists up to room temperature due to the strengthened exchange interactions between Fe atoms via strongly polarized Pt near the Pt_1−δFe_δ/Co interfaces. For the Pt_0.96Fe_0.04/Pt multilayers, the magnetically ordered region in each Pt_0.96Fe_0.04 layer extends over at least 10 Å from the interface at room temperature.     

Effective correlation-free reduced Hamiltonian for the νt(E), νn(A1) Coriolis-interacting states of C3v symmetric-top molecules

The effective correlation-free vibrational-rotational Hamiltonian for the Coriolis-interacting ν_t(E) and ν_n(A₁) states in C_3v molecules has been derived. The Hamiltonian includes the terms describing the x-y Coriolis interaction up to the fourth-order, and several useful reduction schemes for the Hamiltonian are suggested.