Temperature effects on the electrical characteristics of $$\mathrm{Al}/\mathrm{PTh}-\mathrm{SiO}_{2}/\mathrm{p\hbox {-}Si}$$ structure

The temperature-dependent current–voltage (\(I\text {--}V\)) and capacitance–voltage (\(C\text {--}V\)) characteristics of the fabricated Al/p-Si Schottky diodes with the polythiopene–SiO\(_{2}\) nanocomposite (\(\hbox {PTh--SiO}_{2}\)) interlayer were investigated. The ideality factor of \(\hbox {Al}/\hbox {PTh--SiO}_{2}/{p}\text {-Si}\) Schottky diodes has decreased with increasing temperature and the barrier height has increased with increasing temperature. The change in the barrier height and ideality factor values with temperature was attributed to inhomogeneties of the zero-bias barrier height. Richardson plot has exhibited curved behaviour due to temperature dependence of barrier height. The activation energy and effective Richardson constant were calculated as 0.16 eV and \(1.79 \times 10^{-8} \hbox {A\,cm}^{-2} \,\hbox {K}^{-2}\) from linear part of Richardson plots, respectively. The barrier height values determined from capacitance–voltage–temperature (\(C\text {--}V\text {--}T\)) measurements decrease with increasing temperature on the contrary of barrier height values obtained from \(I\text {--}V\text {--}T\) measurements.     

Synthesis and enhanced photocatalytic activity of g-$$\hbox {C}_{3}\mathrm{N}_{4}$$ hybridized CdS nanoparticles

The highly effective g-\(\hbox {C}_{3}\hbox {N}_{4}\) hybridized CdS photocatalysts were synthesized via a successive calcination and hydrothermal process. The as-prepared photocatalysts were characterized by X-ray powder diffraction, transmission electron microscopy and UV–Vis diffuse reflectance spectroscopy. The photocatalytic performance of the \(\hbox {C}_{3}\hbox {N}_{4}\)/CdS nanocomposites was evaluated by the photodegradation of RhB under visible light irradiation. The results showed that photocatalytic ability of the \(\hbox {C}_{3}\hbox {N}_{4}\)/CdS nanocomposites was higher than that of pure \(\hbox {C}_{3}\hbox {N}_{4}\) and CdS. The enhanced photocatalytic activity could be attributed to the high separation efficiency of the photo-excited electron-hole pairs. A possible mechanism of the photocatalytic degradation of RhB on \(\hbox {C}_{3}\hbox {N}_{4}/\)CdS nanocomposites was also proposed.     

Synthesis,structure and thermoelectric properties of $$\mathrm{La}_{1-x}\mathrm{Na}_{x}\mathrm{CoO}_{3 }$$ perovskite oxides

Monovalent ion doped lanthanum cobaltate \(\hbox {La}_{1-x}\hbox {Na}_{x}\hbox {CoO}_{3 }\) (\(0 \le x \le 0.25\)) compositions were synthesized by the nitrate–citrate gel combustion method. All the heat treatments were limited to below 1123 K, in order to retain the Na stoichiometry. Structural parameters for all the compounds were confirmed by the Rietveld refinement method using powder X-ray diffraction (XRD) data and exhibit the rhombhohedral crystal structure with space group R-3c (No. 167). The scanning electron microscopy study reveals that the particles are spherical in shape and sizes, in the range of 0.2–0.5 \(\upmu \)m. High temperature electrical resistivity, Seebeck coefficient and thermal conductivity measurements were performed on the high density hot pressed pellets in the temperature range of 300–800 K, which exhibit p-type conductivity of pristine and doped compositions. The X-ray photoelectron spectroscopy (XPS) studies confirm the monotonous increase in \(\hbox {Co}^{4+}\) with doping concentration up to \(x = 0.15\), which is correlated with the electrical resistivity and Seebeck coefficient values of the samples. The highest power factor of \(10~\upmu \hbox {W~mK}^{-2 }\) is achieved for 10 at% Na content at 600 K. Thermoelectric figure of merit is estimated to be \({\sim }1 \times 10^{-2}\) at 780 K for 15 at% Na-doped samples.     

Theoretical Investigations on Electrocaloric Properties of \mathrm{PbZr}_{0.95}\mathrm{Ti}_{0.05}\mathrm{O}_{3} Thin Film

Based on a phenomenological model, the electrocaloric effect (ECE) accompanied with the ferroelectric-to-paraelectric phase transition in a PbZr $_{0.95}$ 0.95 Ti $_{0.05}$ 0.05 O $_{3}$ 3 thin film was investigated. The extracted data reveal many features of the ECE such as electrocaloric entropy changes, heat capacity changes, and temperature changes as functions of temperature due to different electric fields shifts. From the behavior of the PbZr $_{0.95}$ 0.95 Ti $_{0.05}$ 0.05 O $_{3}$ 3 thin film in phase transitions, it leads to a large change of heat capacity of 105.94 J  ${\cdot }\,$ · kg ${^{-1}}\,{\cdot }\,{^{\circ }}$ ? 1 · ° C, a temperature change of 22.44 K, and a relative cooling power of 1469 J  ${\cdot }$ ·  kg $^{-1}$ ? 1 .     

A Study of Some Thermophysical Parameters in Glassy \mathrm{{Se}}_{80}\mathrm{{Te}}_{20} and \mathrm{{Se}}_{80}\mathrm{{Te}}_{10}\mathrm{{M}}_{10} (Cd, In, and Sb) Alloys

The present paper reports a comparative study of some thermophysical properties (thermal conductivity, thermal diffusivity, thermal effusivity, and specific heat per unit volume) for $\mathrm{{Se}}_{80}\mathrm{{Te}}_{20}$ Se 80 Te 20 and $\mathrm{{Se}}_{80}\mathrm{{Te}}_{10}\mathrm{{M}}_{10}$ Se 80 Te 10 M 10 (Cd, In, and Sb) alloys. The transient plane source technique is used for this purpose. The thermal conductivity is highest for $\mathrm{{Se}}_{80}\mathrm{{Te}}_{10}\mathrm{{In}}_{10}$ Se 80 Te 10 In 10 as compared to the other ternary alloys. This is explained in terms of the thermal conductivity of additive elements Cd, In, and Sb. The composition dependence of the thermal diffusivity and specific heat per unit volume is also discussed.     

Viscosity of Molten InSb,GaSb, and \mathrm{{In}}_{x}\mathrm{{Ga}}_{1-{x}}\mathrm{{Sb}} Alloy Semiconductors

The viscosities of molten InSb, GaSb, and \(\mathrm{{In}}_{{x}}\mathrm{{Ga}}_{1-{x}}\mathrm{{Sb}}\) ( \(x=0.2\) and 0.4) were measured as a function of temperature using an oscillating viscometer for fundamental understanding of the physical properties for fabricating high quality InGaSb multicomponent semiconductor crystals. The measured values showed good Arrhenius linearity for InSb, GaSb, and \(\mathrm{{In}}_{{x}}\mathrm{{Ga}}_{1-{x}}\mathrm{{Sb}}\) samples. The absolute values of the viscosity for InSb and GaSb agreed with a previous study. Also, it is suggested that the absolute values of the viscosity among the compounds are quite similar, and the results can be associated with their crystal structures.     

Energy Bands and Thermoelectricity of Filled Skutterudite $$\mathrm{EuRu}_{4}\mathrm{As}_{12}$$

Density functional theory-based calculations of the elastic and electronic properties with magnetic moments of the filled skutterudite \(\mathrm{EuRu}_{4}\mathrm{As}_{12}\) have been performed in its ferromagnetic ground state. The full-potential linearized augmented plane wave (FP-LAPW) method has been used for the study presented here. The numerical values of the elastic parameters are estimated within the framework of the Voigt–Reuss–Hill approximations. The energy band structure calculation performed near the Fermi energy level shows the metallic nature of the material with a high value of Seebeck coefficient (S). The presence of an exchange splitting of Eu-4f states suggests their appreciable contribution toward the magnetic behavior. The analysis of the thermal transport properties confirms the result obtained from the electronic structure calculation with Seebeck coefficient of \(118\,\,\upmu \hbox {V/K}\) and the figure of merit (ZT) value of 0.51, at room temperature. The estimated values of S and ZT indicate the possibility of the thermoelectric applications of the sample material.     

Thermally Stimulated Luminescence of $$\hbox {Y}_{2}{\mathrm {Si}}{\mathrm {O}}_{5}{:}~{\mathrm {Ce}}^{3+}$$ Commercial Phosphor Powder and Thin Films

We report on the thermoluminescence (TL) properties of \(\hbox {Y}_{2}{\mathrm {Si}}{\mathrm {O}}_{5}{:}\,{\mathrm {Ce}}^{3+}\) phosphor powder and thin films. For the phosphor powder, the TL intensity increases with an increase in UV dose for up to 20 min and then decreases. The TL intensity peak shifts slightly to higher-temperature region at relatively high heating rates, but with reduced peak intensity. Important TL kinetic parameters, such as the activation energy (E) and the frequency factor (s), were calculated from the glow curves using a variable heating rate method, and it was found that the glow peaks obey first-order kinetics. For the films, broad TL emissions over a wide temperature range with reduced intensity relative to that of the powder were observed. The maxima of the TL glow peaks of the films deposited in oxygen ambient and vacuum shift toward higher temperature relative to the TL peak position of the film deposited in an argon environment. Vacuum environment resulted in the formation of a deep trap relative to oxygen and argon environments. Furthermore, the structure of \(\hbox {Y}_{2}{\mathrm {Si}}{\mathrm {O}}_{5}{:}\,{\mathrm {Ce}}^{3+}\) phosphor powder transformed from \({x}_{2}\)-monoclinic polycrystalline phase to \({x}_{1}\)-monoclinic polycrystalline phase, for deposition at low substrate temperature.     

Investigation on the impact and compression behavior of wet \upgamma -\hbox {Al}_{2}\mathrm{O}_{3} granules

The material behavior of dominant elastic–plastic \(\upgamma \) - \(\hbox {Al}_{2}\mathrm{O}_{3}\) granules has been experimentally studied by means of quasi static compression tests and dynamic impact tests until fracture. The obtained distributions of breakage velocity and specific breakage energy are compared. Thus, velocity dependent influences at stressing like viscous behavior can be derived. Additionally, the influences of particle size and moisture content on the material behavior are investigated.     

Prediction of Mass Evaporation of \mathrm{Fe}_{50}\mathrm{Co} _{50} During Measurements of Thermophysical Properties Using an Electrostatic Levitator

This paper describes the prediction of mass evaporation of \(\mathrm{Fe}_{50}\mathrm{Co} _{50}\) at% alloys during thermophysical property measurements using the electrostatic levitator at NASA Marshall Space Flight Center in Huntsville, AL. The final mass, final composition, and activity of individual component are considered in the calculation of mass evaporation. The predicted reduction in mass and variation in composition are validated with six ESL samples which underwent different thermal cycles. The predicted mass evaporation and composition shift show good agreement with experiments with the maximum relative errors of 4.8 % and 1.7 %, respectively.     

Radiative Properties of Ceramic $$\hbox {Al}_{2}\hbox {O}_{3}$$, AlN,and $$\hbox {Si}_{3}\hbox {N}_{4}$$Si3N4: I. Experiments

The radiative properties of dense ceramic \(\hbox {Al}_{2}\hbox {O}_{3}\), AlN, and \(\hbox {Si}_{3}\hbox {N}_{4}\) plates are investigated from the visible to the mid-infrared region at room temperature. Each specimen has different surface finishings on different sides of the laminate. A monochromator was used with an integrating sphere to measure the directional-hemispherical reflectance and transmittance of these samples at wavelengths from 0.4 \(\upmu \hbox {m}\) to 1.8 \(\upmu \hbox {m}\). The specular reflectance was obtained by a subtraction technique. A Fourier-transform infrared spectrometer was used to measure the directional-hemispherical or specular reflectance and transmittance with appropriate accessories from about 1.6 \(\upmu \hbox {m}\) to 19 \(\upmu \hbox {m}\). All measurements were performed at near-normal incidence on either the smooth side or the rough side of the sample. The experimental observations are qualitatively interpreted considering the optical constants, surface roughness, and volume scattering and absorption.     

Effect of Previous Milling of Precursors on Magnetoelectric Effect in Multiferroic {\mathrm{Bi}_{5}\mathrm{Ti}_{3}\mathrm{FeO}_{15}} Ceramic

$\mathrm{Bi}_{5}\mathrm{Ti}_{3}\mathrm{FeO}_{15}$ Bi 5 Ti 3 FeO 15 magnetoelectric (ME) ceramics have been synthesized and investigated. The ME effect can be described as an induced electric polarization under an external magnetic field or an induced magnetization under an external electric field. The materials in the ME effect are called ME materials, and they are considered to be a kind of new promising materials for sensors, processors, actuators, and memory systems. Multiferroics, the materials in which both ferromagnetism and ferroelectricity can coexist, are the prospective candidates which can potentially host the gigantic ME effect. $\mathrm{Bi}_{5}\mathrm{Ti}_{3}\mathrm{FeO}_{15}$ Bi 5 Ti 3 FeO 15 , an Aurivillius compound, was synthesized by sintering a mixture of $\mathrm{Bi}_{2}\mathrm{O}_{3}, \mathrm{Fe}_{2}\mathrm{O}_{3}$ Bi 2 O 3 , Fe 2 O 3 , and $\mathrm{TiO}_{2}$ TiO 2 oxides. The precursor materials were prepared in a high-energy attritorial mill for (1, 5, and 10) h. The orthorhombic $\mathrm{Bi}_{5}\mathrm{Ti}_{3}\mathrm{FeO}_{15}$ Bi 5 Ti 3 FeO 15 ceramics were obtained by a solid-state reaction process at 1313 K. The ME voltage coefficient ( $\alpha _\mathrm{ME}$ α ME ) was measured using the dynamic lock-in method. The highest ME voltage coefficient ( $\alpha _\mathrm{ME} = 8.28\,\text{ mV }{\cdot }\text{ cm }^{-1}{\cdot }\text{ Oe }^{-1})$ α ME = 8.28 mV · cm ? 1 · Oe ? 1 ) is obtained for the sample milled for 1 h at $H_\mathrm{DC }= 4$ H DC = 4  Oe (1 Oe = 79.58  $\text{ A }{\cdot }\text{ m }^{-1})$ A · m ? 1 ) .     

Application of Clifford algebra {C \ell_3(\mathbb{C})} to continuum and engineering mechanics

Multivectorial algebra is of both academic and technological interest. Its application, however, is not always easy. A distinction must be made between polar and axial vectors and between scalars and pseudo-scalars. Eight element types are often considered even if they are not always identified as multivectors. In some cases, for simplicity’s sake, only vectorial algebra or quaternion algebra is explicitly used for physical and mechanical applications. It would, however, be more convenient to use more complex algebra directly in order to have a wider range of mechanical applications. The aim of this paper is to examine one particular type of Clifford algebra that could solve this problem. The present study focusses on showing how these quantities can be used to model mechanical and engineering problems. First, continuum mechanics in a Cauchy medium is investigated for elastic transformations. Second, a specific type of shot-peening application is studied. Applications are then used to illustrate the scope and efficiency of this type of modeling based on geometric algebra.     

Influence of Thermal Annealings in Argon on the Structural and Thermochromic Properties of $$\mathrm{MoO}_{3}$$ Thin Films

The effect of thermal annealing in an inert atmosphere (argon) on the structural and thermochromic properties of \(\hbox {MoO}_{3}\) thin films was investigated. \(\hbox {MoO}_{3}\) thin films were deposited by thermal evaporation in vacuum of \(\hbox {MoO}_{3}\) powders. X-ray diffraction patterns of the films showed the presence of the monoclinic Magneli phase \(\hbox {Mo}_{9}\hbox {O}_{26}\) for annealing temperatures above \(250\,{^{\circ }}\hbox {C}\). Absorbance spectra of the films annealed in argon indicated that their thermochromic response increases with the annealing temperature in the analyzed range (23 \({^{\circ }}\hbox {C}\)–300 \({^{\circ }}\hbox {C}\)), a result opposite to the case of thermal annealings in air, for which case the thermochromic response shows a maximum value around 200 \({^{\circ }}\)C–225 \({^{\circ }}\)C and decreases for higher temperatures. These results are explained in terms of a higher density of oxygen vacancies formed upon thermal treatments in inert atmospheres.     

Unraveling Thermal and Dynamical Properties of the Cubic $$\mathrm{BaVO}_3$$ Perovskite from First-Principles Calculation

Using a toolkit of theoretical techniques comprising ab initio density functional theory calculations and quasiharmonic approximation, we investigate temperature dependence of dynamical properties of \(\mathrm{BaVO}_3\) perovskite. This interest is triggered by the fact that, recently, it was possible to synthesize a \(\mathrm{BaVO}_3\) perovskite, in a cubic phase, at high pressure and temperature. First-principle calculations are achieved thanks to recent development in numerical facilities, especially phonon dispersion curves which are then fully obtained. Elastic constants of the compound are dependent on temperature due to the inevitable anharmonic effects in solids. We show that at low temperature, the full account of the thermal effects incorporating the phonon densities and Sommerfeld model is more appropriate to calculate the thermal properties of a metal.     

Structures and electronic properties of $$\hbox {W}_{m}\hbox {Cu}_{n}\,(n + m \le 7)$$ clusters

Geometric and electronic structures of \(\hbox {W}_{m}\hbox {Cu}_{n}\, (m + n \le 7)\) cluster have been systematically calculated by density functional theory at the generalized gradient approximation level for ground-state structures. \(\hbox {W}_{m}\hbox {Cu}_{n}\) clusters with \(n = 1, 3, 5\) tend to form bipyramid structures, whereas \(\hbox {WCu}_{n}\) favour planar shapes except for \(\hbox {WCu}_{5}\). The configurations of \(\hbox {W}_{m}\hbox {Cu}_{n}\) clusters are more sensitive to the Cu atoms than the W atoms, while the average atomic binding energies and the total magnetic moments are determined by W atoms. The calculated second-order differences in energies and HOMO–LOMO energy gaps show pronounced odd–even oscillating behaviours. From the Mulliken electron population analysis, we found that Cu 4p and W 6p orbitals exhibit electronic charges and both Cu 4s and W 6s orbitals transfer electronic charges to the W 5d orbital, which lead to the extension of W–Cu bond lengths.     

Influence of donor substitution at $$\mathrm{D}{-}\uppi {-}\mathrm{A}$$ architecture in efficient sensitizers for dye-sensitized solar cells: first-principle study

Using density functional theory and time-dependent density functional theory, we theoretically studied a new series of five novel metal-free organic dyes, namely D1–D5, for application in dye-sensitized solar cells based on donor–\(\uppi \)-spacer–acceptor (\(\mathrm{D}{-}\uppi {-}\mathrm{A}\)) groups. In this present study, five different donor groups have been designed based on triphenylamine–stilbene–cyanoacrylic acid (TPA–St–CA). The electronic structures, UV–visible absorption spectra and photovoltaic properties of these dyes were investigated. Different exchange-correlation functionals were used to establish a proper methodology procedure for calculation and comparison to experimental results of dye TPA–St–CA. The TD-WB97XD method, which gives the best correspondence to experimental values, is discussed. The calculated results reveal that the donor groups in D2 and D3 are promising functional groups for \(\mathrm{D}{-}\uppi {-}\mathrm{A}\). In particular, the D2 dye showed small energy levels and red-shift, negative \(\Delta {G}_{\mathrm{inject}}\), fastest regeneration and largest dipole moment and exciton binding energy when compared with TPA–St–CA.