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.     

The saturation scale and its x-dependence from Λ polarization studies

The transverse polarization of forward Λ   hyperons produced in high-energy p–A$p\text{–}A$ collisions is expected to display an extremum at a transverse momentum around the saturation scale. This was first observed within the context of the McLerran–Venugopalan model which has an x  -independent saturation scale. The extremum arises due to the kt$k_t$-odd nature of the polarization-dependent fragmentation function, which probes approximately the derivative of the dipole scattering amplitude. The amplitude changes most strongly around the saturation scale, resulting in a peak in the polarization. We find that the observation also extends to the more realistic case in which the saturation scale Qs$Q_s$ is x-dependent. Since a range of x   and therefore Qs$Q_s$ values is probed at a given transverse momentum and rapidity, this result is a priori not expected. Moreover, the measurement of Λ   polarization over a range of xF$x_F$ values actually provides a direct probe of the x-dependence of the saturation scale. This novel feature is demonstrated for typical LHC kinematics and for several phenomenological models of the dipole scattering amplitude. We show that although the measurement will be challenging, it may be feasible at LHC. The situation at RHIC is not favorable, because the peak will likely be at too low transverse momentum of the Λ to be a trustworthy measure of the saturation scale.     

The physical properties of borocarbide superconductor Y1−xSmxNi2B2C (x≦0.25) and Y1−xSmxPd5B3C0.4 (x≦0.4)

We have investigated the magnetic and transport properties of borocarbide superconductors YNi₂B₂C and YPd₅B₃C_0.4 with Yttrium partially substituted by Samarium. The upper critical fields H_C2 are determined by the scaling analysis of the thermal fluctuation magnetoconductivity. Around the transition region, the thermal fluctuation magnetoconductivity can be scaled by a universal function for all applied magnetic fields. The formula H_C2(T)=H_C2(0)[1−(T/T_C)^3/2]^3/2 of a narrow-band pairing mechanism gives an excellent fit to the value of upper critical field H_C2(0)=7.6 T in the Y_0.8Sm_0.2Pd₅B₃C_0.4 compound. The superconducting coherence length ξ is determined to be 6.58 nm, the Ginzburg-Landau parameter κ is 29 and the penetration depth λ is 191 nm.     

High temperature drop calorimetry measurements of enthalpy increment in Ti–xTa (x=5, 10, 15, 20 mass%) alloys

The enthalpy increment for a series of Ti–xTa (x=5, 10, 15, 20 mass%) alloys, having α(hcp)+β(bcc) two phase microstructure has been measured using inverse drop calorimetry in the temperature range 463–1257 K. The studies clearly revealed the occurrence of α→β diffusional phase transformation. Both the α→β transformation onset temperatures and the measured transformation enthalpy Δ⁰H_tr^α→β exhibit progressively lower values with increasing Ta content. It is found that the measured enthalpy in the transformation region is constituted of two principal contributions namely, (i) the enthalpy due to untransformed α and coexisting β phases and (ii) the transformation enthalpy due to α→β phase change. Since the fractional extent of α→β transformation varies continuously with temperature, the measured enthalpy variation in the transformation domain has been modeled using Kolmogorov–Johnson–Mehl–Avrami formalism for the diffusional transformation kinetics. The thermodynamic quantities for all the alloys have been derived.     

First principles study on structural,electronic and optical properties of Ga1−xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga_1?xB_xP ($x=0.25$, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew–Burke–Ernzerhof (PBE), Wu–Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran–Blaha modified Becke–Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect–direct band gap transition can be reached from $x=0.33$. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.     

Enhanced energy storage and pyroelectric properties of highly (100)-oriented (Pb1−x−yLaxCay)Ti1−x/4O3 thin films derived at low temperature

Highly (100)-oriented (Pb_1?x?yLa_xCa_y)Ti_1?x/4O₃ ($x=0.15$, $y=0.05$; $x=0.1$, $y=0.1$; $x=0.05$, $y=0.15$) thin films were deposited on Pt/Ti/SiO₂/Si substrates at a low temperature of 450?°C via a sol–gel route. It was found that all the (Pb_1?x?yLa_xCa_y)Ti_1?x/4O₃ thin films could be completely crystallized and the content of La/Ca showed a significant effect on the electrical properties of films. Among the three films, the (Pb_1?x?yLa_xCa_y)Ti_1?x/4O₃ ($x=0.1$, $y=0.1$) thin film exhibited the enhanced overall electrical properties, such as a low dielectric loss ($\tan ?\delta <0.08$) and leakage current ($J～4.6\times {10}^{?5}$ A/cm²), a high recoverable energy density (W_re ～ 15 J/cm³), as well as a large pyroelectric coefficient (p ～ 190 μC/m²K) and figure of merit ($F_{\mathrm{d}}^{\prime }～77\mathrm{\mu }\text{C}/{\text{m}}^2$K). The findings suggest that the fabricated thin films with a good (100) orientation can be an attractive candidate for applications in Si-based energy storage and pyroelectric devices.     

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.     

Influence of Nb substitution for Fe on the magnetic and magneto-impedance properties of amorphous and annealed Fe76.5−xSi13.5B9Cu1Nbx (x=0–7) ribbons

We report a systematic study of the influence of Nb substitution for Fe on the magnetic properties and magneto-impedance (MI) effect in amorphous and annealed Fe_76.5−xSi_13.5B₉Cu₁Nb_x (x=0, 1, 2, 3, 4, 5, 6, and 7) ribbons. The amorphous ribbons were annealed at different temperatures ranging from 530 to 560 °C in vacuum for different annealing times between 5 and 20 min. We have found that for the as-quenched amorphous ribbons, the substitution of Nb for Fe first increases the saturation magnetization (M_s) and decreases the coercivity (H_c) until x=3, for which the largest M_s∼152 emu/g and the smallest H_c∼1.3 Oe are obtained, then an opposite trend is found for x>3. The largest MI ratio (ΔZ/Z∼38% at f=6 MHz) is achieved in the amorphous ribbon with x=3. A similar trend has been observed for the annealed ribbons. The most desirable magnetic properties (M_s∼156 emu/g and H_c∼1.8 Oe) and the largest MI ratio (ΔZ/Z∼221% at f=6 MHz) are achieved for the x=3 sample annealed at 540 °C for 15 min. A correlation between the microstructure, magnetic properties, and MI effect in the annealed ribbons has been established.     

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.     

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.     

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.     

The first principle study of the electronic structure of SixGe(1−x) alloy films

First principles calculation based on density functional theory (DFT) with the generalized gradient approximation (GGA) are carried out to investigate the electronic band structures of ${\text{Si}}_x{\text{Ge}}_{(1?x)}$ alloys nanofilms. The calculation results show that the band gaps of (100), (110) and (111) surfaces ${\text{Si}}_x{\text{Ge}}_{(1?x)}$ alloy films with different thickness first increase with the increase of Si content, then flatten out, and finally decrease. At the same time, the transformation of direct band gap and indirect band gap occurs when the thickness of films and Si content of the three surface ${\text{Si}}_x{\text{Ge}}_{(1?x)}$ alloy films changes to a certain critical condition. It will be a good way to obtain direct-gap band emission in ${\text{Si}}_x{\text{Ge}}_{(1?x)}$ alloys materials.     

Effects of hydrostatic pressure on the Coulomb-bound states in GaAs–Ga1−xAlxAs semiconductor superlattices

The effects of hydrostatic pressure on the Coulomb-bound states in GaAs–Ga_1−xAl_xAs and GaAs–AlAs semiconductor superlattices are theoretically studied. Calculations of the impurity binding energies for different configurations of the system and for various values of the hydrostatic pressure are performed in the framework of the parabolic-band and effective-mass schemes, and within the variational procedure. The hydrostatic-pressure dependence on the exciton energy is also obtained, and theoretical results are compared and found in good agreement with available experimental measurements.     

Effect of elevated concentrations of strontium and iron on the structural and dielectric characteristics of Ba(1−x−y)Sr(x)Ti Fe(y)O3 prepared through sol–gel technique

Nano-composite Ba_1−xSr_(x)TiO₃ (BST), where x=0.01–0.50 and doped with different concentrations of iron Ba_(1−x−y)Sr_(x)TiFe _(y)O₃ (BSTF), where x=0.01 and y=0.01–0.05 powders were prepared by sol–gel method.     

Antiferroelectric phase transition in pyrochlore-like (Dy1− xCax)2Ti2O7 − δ (x = 0, 0.1) high temperature conductors

Low-temperature ordering transitions in polycrystalline high temperature conductors (Dy_1 − xCa_x)₂Ti₂O_7 − δ (x = 0, 0.1) prepared using co-precipitation, mechanical activation and solid-state reactions at 1400 or 1600 °C have been studied by impedance spectroscopy at low frequencies and thermal mechanical analysis (TMA). The dielectric permittivity and loss tangent of the ceramics obtained have been measured as a function of temperature at low frequencies (0.5−500 Hz). The results provide evidence for the relaxation of point defects, most likely oxygen vacancies, at 500−600 °C and an antiferroelectric low-temperature phase transition of the second order, associated with re-arrangement process in the oxygen sublattice of pyrochlore structure. The temperature of the antiferroelectric transition is 700 to 800 °C, depending on the synthesis procedure and ceramic composition. Calcium doping of Dy₂Ti₂O₇ leads to the formation of additional oxygen vacancies and, in the case of the samples prepared via co-precipitation, increases the peaks in permittivity due to the relaxation process and ordering transition by three or six times, respectively.     

Glass transition behavior of binary GaxSe100−x (0?x?10) glass systems

The glass transition behavior of glassy Ga_xSe_100−x (x=0, 2.5, 5, 7.5 and 10) systems were investigated using differential scanning calorimetry (DSC). The variation of glass transition temperature, T_g, with Ga concentration has been studied. The value of activation energy of glass transition, E_g, has been found to increase with increase in Ga content. This increase in E_g has been explained in terms of the average heat of atomization for these glasses.     

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.