Calculation of electronic and optical properties of zinc blende GaP1 − xNx

In order to clarify the electronic properties of the ternary compound semiconductor GaPN, in a zinc-blende structure, a simple pseudopotential scheme (EPM), within an effective potential (VCA), is proposed. The effects of disorder and spin–orbit coupling are neglected. Various quantities, such as energy levels, charge densities, ionicity character, transverse effective charge, and refractive index are obtained for this alloy. Moreover, the crossover of the direct and indirect band gaps is predicted.     

The effect of copper concentration on structural,optical and dielectric properties of CuxZn1 − xS thin films

Cu_xZn_1 ? xS (x = 0, 0.25, 0.50, 0.75, 1) thin films were deposited on glass substrates using Successive Ionic Layer Adsorption and Reaction (SILAR) method at room temperature and ambient pressure. The copper concentration (x) effect on the structural, morphological and optical properties of Cu_xZn_1 ? xS thin films was investigated. The X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies showed that all the films exhibit polycrystalline nature and are covered well with glass substrates. The crystalline and surface properties of the films improved with increasing copper concentration. The energy bandgap values were changed from 2.07 to 3.67 eV depending on the copper concentration. The refractive index (n), optical static and high frequency dielectric constants (ε_o, ε_∞) values were calculated by using the energy bandgap values as a function of the copper concentration.     

Calculation of the optical and electronic properties of the zinc-blende alloy Zn1 − xMgxSe

In order to clarify the electronic and optical properties of wide-energy gap zinc-blende structures ZnSe, MgSe and their alloys (ZnSe)_1 − x(MgSe)_x, a simple pseudo-potential scheme (EPM) within an effective potential, the virtual crystal approximation (VCA) which incorporates compositional disorder as an effective potential, is presented. Various quantities, including the fundamental band gap, the energies of several optical gaps, charge densities, ionicity character, transverse effective charge, and refractive index are obtained for this alloy.     

Predictions of the bonding properties inCd1 − xZnxTe

The electronic, optical and elastic properties of the ternary II–VI semiconductor alloys Cd_1 − x Zn _xTe are calculated by thesp³s ^*  semi-empirical tight-binding theory and the bond-orbital model. We found a nonlinear decrease of the transverse effective charge and refractive index and a nonlinear increase of the bandgap and elastic constants with increasing Zn composition x. For all these behaviours, the corresponding bowing factors are predicted. The results are compared with previous theoretical estimates and experiments.     

Nonlinear optical properties of Au/PVP composite thin films

Colloidal Au and poly（vinylpyrrolidone） （PVP） composite thin films are fabricated by spin-coating method. Linear optical absorption measurements of the Au/PVP composite films indicate an absorption peak around 530 nm due to the surface plasmon resonance of gold nanoparticles. Nonlinear optical properties are studied using standard Z-scan technique, and experimental results show large optical nonlinearities of the Au/PVP composite films. A large value of χ^（3）/α up to 0.56× 10-^10esu·cm is obtained, which is comparable to the best values reported in metal/oxlde composite films.     

Effect of NaF on optical and structural properties of CdxZn1−xS nano crystalline films

This work investigates the effect of NaF on optical and structural properties of nano crystalline Cd_xZn_1?xS films. The Cd_xZn_1?xS films are prepared through chemical bath deposition (CBD) technique in aqueous alkaline bath and their subsequent condensation on substrates. The as-obtained samples are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and UV–VIS absorption spectroscopy. Micro structural features, obtained from XRD analysis confirm the formation of cubic phase of undoped as well as NaF doped Cd_xZn_1?xS nano particles while SEM observations depict non-uniform distribution of grains. These results show the average grain size of pure as well as NaF doped samples to range from 50 to 90 nm. Tauc's plots, extracted from absorption spectra exhibit absorption to be dominating mainly in blue-green region of visible spectrum. The room-temperature photoluminescence (PL) spectra of Cd_xZn_1?xS samples show a peak around 425 nm, which gets blue shifted for doped sample indicating improvement in PL properties on its addition.     

Electronic structure of CuClxBr1 − x,CuClxI1 − xand CuBrxI1 − xalloys

In this work, the electronic structure and disorder effects in copper halides alloys are studied by means of the full potential linearized augmented plane wave (FLAPW) method. The calculated bowing parameter shows that the main contribution is due to the relaxation effects, though the charge transfer remains relatively significant, while the volume deformation contribution is negligible. The total bowing is found to be small in the three studied alloys. Results agree well with experimental and available theoretical works.     

Nonlinear properties in InxGa1 − xAs/GaAs multiple quantum well laser structures

In this paper we investigated nonlinear properties and lasing in In_xGa_1 − xAs/GaAs multiple quantum wells grown by metal-organic chemical vapour deposition. A systematic study, performed by high excitation photoluminescence measurements as a function of excitation intensity, allowed us to identify the minimum well width for observing stimulated emission from well states. We also determined the threshold for stimulated emission for well and barrier lasing. Radiative recombination energies are identified by using theoretical data obtained in the effective mass approximation, including boundary conditions and strain.     

Structural and electrochemical characterization of mesoporous thin films of Nb2xV2 − 2xO5 upon lithium intercalation

Nb_2xV_2 ? 2xO₅ (0 ≤ x ≤ 1) powders were prepared by a synthetic route based on the inorganic polymerization of alkoxy-choride precursors and characterized by a combination of X-ray diffraction, ⁵¹V and ⁹³Nb NMR and Raman spectroscopy. Amorphous mesoporous thin films of similar compositions were successfully prepared by a modified Evaporation Induced Self Assembly method using polystyrene-b-polyethyleneoxide diblock copolymer as structuring agent. The electrochemical properties of the mesoporous films upon lithium insertion–deinsertion are investigated by cyclic voltammetry. This study highlights the advantages of such nanoarchitecture in terms of increased capacity to insert lithium.     

On the superconductivity and structural properties of YBa2Cu3 − xCdxO7 − y

A series of superconducting cuprates with the nominal composition YBa₂Cu_3 − xCd_xO_7 − yand the effect of Cd substitution on Cu sites in this compound is presented. X-ray powder diffraction patterns for these cadmium cuprates with reduced diamagnetism indicate an orthorhombic unit cell like-perovskite structure for (0 ≤ x ≤ 0.15), while for higher Cd concentration, i.e.x = 1.0 the material is polyphasic. The observed superconducting transition temperature of the samples is nearly the same ([formula] K), except for (x = 1.0) whereT_cdrops to 72 K and a transition from metallic to semiconducting behavior of the normal state of the resistivity is observed. Such a decrease inT_cfor higher Cd concentration could be attributed to the presence of the green phase in this composition.     

Lithium insertion into nanometer-sized rutile-type TixSn1 − xO2 solid solutions

The electrochemical properties of rutile-type Ti_xSn_1?xO₂ solid solutions (x = 0–1.0) as an anode for a lithium–ion battery were investigated using nanosized crystals prepared by an aqueous solution process. The reduction of the crystal size to nanoscale allowed a smooth lithium insertion into the rutile framework at room temperature. The lithium-insertion behavior of TiO₂, SnO₂, and the solid solutions was evaluated without any structural change of the rutile-type crystal structure in the potential range of 1.2–3.5 V (versus Li/Li⁺). The interstitial spaces for lithium ions were found to be derived from the crystal structure of the rutile framework and independent of the metal species.     

Modification of B-site doping of perovskite LaxSr1 − xFe1 − y−zCoyCrzO3 − δ oxide by Mg2+ ion

Co-doping B-site of perovskite oxide La_xSr_1 ? xCo_yFe_1 ? yO_3 ? δ (LSCFO) with Cr⁶⁺ and Mg²⁺ ions has been attempted in this research for revamping chemical stability and oxygen ionic conductivity of this mixed conducting oxide. It is known that partial substitution for B-site cations of LSCFO by Cr gives rise to a significant improvement on chemical and thermal stability of the perovskite oxide. On the basis of this doped structure, introduction of an immaterial dose of Mg²⁺ ion into its B-site results in a microstructure consisting of smaller grains with higher density than its precursor. Furthermore, the resulting perovskite oxide La_0.19Sr_0.8Fe_0.69Co_0.1Cr_0.2 Mg_0.01O_3 ? δ (LSFCCMO) displays higher O^2? conductivity than the solely Cr-doped LSCFO besides the improved chemical stability against reduction in 5% CH₄/He stream at 850 °C. A detailed examination of the oxidation states of B-site transition metal ions by XPS has also been conducted as a part of structural characterizations of LSFCCMO. The assessment of relative O^2? conductivity shows that the grain boundary area plays a more important role than the bulk phase in facilitating ion transport, but with comparable boundary areas the higher densification level is favorable.     

Nonlinear optical properties of polyaniline composite materials

The nonlinear optical properties of polyaniline composite materials (PANI/Au) were studied using the single-beam Z-scan technique.These molecules exhibited a strong reverse saturable absorption and an interesting optical limiting performance with a nanosecond Nd:YAG laser pulses at 532 nm.     

The optical properties of MgxZnl-xO thin films

Mg_xZn_1-xO thin films have been prepared on silicon substrates by radio frequency magnetron sputtering at 60℃. The thin films have hexagonal wurtzite single-phase structure and a preferred orientation with the c-axis perpendicular to the substrates. The refractive indices of Mg_xZn_1-xO films are studied at room temperature by spectroscopic ellipsometry over the wavelength range of 400--760\,nm at the incident angle of 70℃. Both absorption coefficients and optical band gaps of Mg_xZn_1-xO films are determined by the transmittance spectra. While Mg content is increasing, the absorption edges of Mg_xZn_1-xO films shift to higher energies and band gaps linearly increase from 3.24.eV at x=0 to 3.90\,eV at x=0.30. These results provide important information for the design and modelling of ZnO/ Mg_xZn_1-xO heterostructure optoelectronic devices.     

Magneto-optical and optical properties of polycrystalline Со–Р films with nanometer thickness

Features of the optical and magneto-optical properties of polycrystalline Со–Р films with nanometer thickness are established experimentally. It is found that the spectra of optical parameters n and k and magnetic circular dichroism depend largely on film thickness, suggesting that magneto-optical activity is governed by different mechanisms in thin films and bulk materials.     

Effects of oxygen partial pressure on optical properties of NiO_x films deposited by reactive DC-magnetron sputtering

The influence of oxygen partial pressure on the optical properties of NiOx thin films deposited by reactive DC-magnetron sputtering from a nickel metal target in a mixture gas of oxygen and argon was presented. With the oxygen ratio increasing, the reflectivity of the as-deposited films decreased, and optical band gap increased. Thermogravimetric analysis (TGA) showed that the decompose temperature of the films was above 250℃. After annealed at 400℃, only films deposited at 5% O2/Ar ratio showed high optical contrast which was about 52%. Scanning electron microscope (SEM) results revealed that the changes of surface morphology were responsible for the optical property variations of the films after annealing. Its thermal stability and high optical contrast before and after annealing made it a good potential write-once optical recording medium.     

Structure and optical properties of GeGaS films deposited by thermal evaporation

Amorphous GeGaS thin films have been successfully deposited onto glass slides at room temperature by the thermal evaporation technique. The structural units of the films were studied using Raman spectroscopy. In addition to the basic structural units of GeS₄ tetrahedra, there are some SS and GeGe homopolar bonds which exist in the films. The increase in Ge atoms leads to the replacement of SS bonds by GeGe bonds, and the isolated Ge(Ga)S₄ tetrahedra units transform into corner-sharing or edge-sharing Ge(Ga)S₄ tetrahedra units in the films. The refractive index and optical band gap were derived from transmission spectra of films. The values of optical band gap decrease while the refractive indices increase with increasing Ge content. Composition dependence of optical band gap and refractive index has also been interpreted in terms of the variation in the structure of films based on Raman spectra.     

The effect of In/N ratio on the optical quality and lasing threshold in GaxIn1 − xAs1 − yNy/GaAs laser structures

We present a review of published work concerning the effect of In and N compositions on the operation wavelength, optical quality and lasing threshold in Ga_xIn_1 − xAs_1 − yN_y/GaAs QW and double heterostructure lasers. We show that the emission wavelength in the range between 1.0 and 1.4 μ m can be obtained for a wide range of In and/or N concentrations. However, in most Fabry–Perot lasers and vertical cavity surface emitting lasers (VCSELs) reported in the literature, the threshold current density plotted as a function of the relative In/N composition (R =  (1  − x) / y) indicate a broad minima for 40  < R <  70, suggesting an optimum relative composition. We also present the results of our studies concerning the optical quality of Ga_xIn_1 − xAs_1 − yN_y/GaAs single quantum wells for R =  15. We show that the optical quality of GaInAsN can be improved while achieving a red shift in the PL spectra. This is unlike the results obtained by rapid thermal annealing or conventional annealing, which are widely employed as post-growth treatment techniques, where any increase in the PL intensity is almost always accompanied by an undesired blue shift.     

Effect of Eu dopant concentration in SrCe1 − xEuxO3 − δ on ambipolar conductivity

The europium dopant concentration in strontium cerate was studied to achieve maximum hydrogen permeation. In order to determine high ambipolar conductivity, total conductivity and open circuit potential measurements were performed. Among the three different compositions of Eu-doped SrCe_1 ? xEu_xO_3 ? δ (x = 0.1, 0.15 and 0.2) studied, SrCe_0.9Eu_0.1O_3 ? δ showed highest total conductivity between 600 °C and 900 °C. However, transference number measurements showed increasing electronic conductivity with increasing dopant concentration and a stronger temperature dependence for electronic conduction. Therefore, the highest ambipolar conductivity was obtained over the compositional range from SrCe_0.85Eu_0.15O_3 ? δ to SrCe_0.8Eu_0.2O_3 ? δ depending on temperature. Finally, the hydrogen permeation flux was calculated based on the ambipolar conductivity and compared with experimental results.