Effect of change in structural and magnetic states of Pt<Subscript>74.1</Subscript>Fe<Subscript>25.9</Subscript> alloy on its optical properties

The effect of atomic disordering on the optical properties of Pt_74.1Fe_25.9 alloy, whose stoichiometry is close to that of Pt₃Fe, has been investigated. The optical constants of ordered and plastically deformed alloys, which are, respectively, in the paramagnetic and ferromagnetic states, have been measured by the polarimetric method. The frequency dispersions of the permittivity, optical conductivity, and reflectivity, as well as the microscopic characteristics of conduction electrons (plasma and relaxation frequencies), have been calculated. The energy dependences of the optical conductivity are compared to the calculated energy-band structure of atomically ordered and disordered Pt₃Fe compounds.     

Influence of structurization of amorphous Fe73.5Si13.5B9Nb3Cu1 alloy on its spectral properties

The optical properties of Fe_73.5Si_13.5B₉Nb₃Cu₁ ferromagnetic alloy in the amorphous, nanocrystalline, and crystalline states have been investigated by optical ellipsometry in the spectral range of 0.22–18 μm. It is established that the crystallization of alloy during heat treatment leads to a significant change in its optical constants, as well as the frequency dependences of dielectric functions calculated based on these constants. The structural ordering is accompanied by a considerable increase in the intensity of the fundamental absorption band and an occurrence of its blue shift. Some characteristics of conduction electrons are determined, the numerical values of which also depend on the degree of atomic order.     

Dependence of the optical properties of Fe<Subscript>78</Subscript>Si<Subscript>10</Subscript>B<Subscript>12</Subscript> amorphous alloy on its structural state

The optical properties of Fe₇₈Si₁₀B₁₂ ferromagnetic alloy in amorphous, crystalline, and intermediate structural states have been investigated by ellipsometry in the spectral range of 0.22–18 μm. It is established that alloy crystallization leads to a significant change in the optical constants and the frequency dependences of the dielectric functions calculated based on these optical constants. The structural reconstruction under heat treatment leads to an increase in the intensity and shift of interband absorption bands. The plasma and relaxation frequencies of conduction electrons are determined; their numerical values also depend on the degree of atomic ordering.     

Structural investigation of Si0.5Ge0.5 alloy for optoelectronic applications: Ab initio study

The structural, electronic and optical properties of the binary silicon–germanium alloy have been investigated using the projector augmented-wave (PAW) calculations with a powerful VASP package (Vienna ab initio simulation package). The structural properties of Si_0.5Ge_0.5 alloy have been calculated using total energy calculations and compared with our empirical model of bulk modulus. The electronic band structure and density of state of Si_0.5Ge_0.5 alloy show that the conduction band minimum (CBM) is located at the X point and the valence band maximum (VBM) is located at the Г point, resulting in indirect (Г–X) energy band gap of 0.48 eV. The results of the refractive index and optical dielectric constant of Si_0.5Ge_0.5 alloy are also obtained. The PAW's results are in good agreement with experimental, theoretical and our model results.     

Effect of severe plastic deformation on the electronic properties of the Cu<Subscript>72</Subscript>Au<Subscript>24</Subscript>Ag<Subscript>4</Subscript> alloy

The electrical, magnetic, and optical properties of the Cu₇₂Au₂₄Ag₄ ternary alloy in the ordered and disordered states have been studied by the method of severe torsional plastic deformation under pressure in Bridgman anvils. It has been shown that, as a result of this deformation, the residual electrical resistivity of the alloy increases by approximately 11% and the magnitude of the negative thermopower decreases. The high diamagnetic susceptibility of the alloy has been explained by a significant role of charge carriers with the effective mass considerably smaller than the free-electron mass. The behavior of the optical conductivity has been discussed with due regard for the results of energy-band calculations. The experimental data obtained for the Cu₇₂Au₂₄Ag₄ alloy have been compared with the results of similar studies of the Cu₃Au binary alloy.     

Optical and magneto-optical properties of Co/Pt multilayered films

Both experimental and computer-simulated magneto-optical (MO) and optical spectroscopies of Co/Pt multilayered films (MLF) with a nearly constant Pt sublayer thickness and variable Co sublayer thickness, as well as pure Co and Pt, and Co_0.51Pt_0.49 alloy films, have been performed in the energy range 1.1–4.7 eV. The simulations were achieved by solving the multireflection task for various models of the MLF. The comparison between experimental and computer-simulated optical properties of the Co/Pt MLF allowed us to evaluate the thickness of the interfacial regions with the alloyed components. The diagonal and off-diagonal components of the optical conductivity tensor were calculated not only for the pure Co and Co_0.51Pt_0.49 alloy films, and the whole Co/Pt MLF, but also for the spin-polarized Pt layers in the Co/Pt MLF.     

Influence of doping of mercury atom(s) on optoelectronic properties of binary cadmium chalcogenides - A density functional theory based investigation with different exchange-correlation functionals and including spin-orbit coupling

Influence of doping of mercury atom(s) on optoelectronic properties of binary cadmium chalcogenides have been investigated theoretically by designing the mercury doped cadmium chalcogenide ternary alloys in B3 phase at some specific Hg-concentrations and studying their optoelectronic properties using DFT based FP-LAPW methodology. The structural properties are computed using WC-GGA, while spin-orbit coupling included electronic and optical properties are computed using TB-mBJ, EV-GGA, B3LYP and WC-GGA exchange-correlation functionals. In addition, electronic properties of mercury chalcogenides are calculated precisely using the GGA+U functionals. The concentration dependence of lattice parameter and bulk modulus of each of the Hg_xCd_1−xS, Hg_xCd_1−xSe, Hg_xCd_1−xTe alloy systems show almost linearity. For each of the alloy systems, band gap decreases almost linearly with increase in Hg-concentration in the unit cell and contribution from charge exchange to the band gap bowing is larger than that from for each of the volume deformation and structural relaxation. Also, covalent bonding exists between different constituent atoms in each compound. Optical properties of each specimen are computed from their spectra of dielectric function, refractive index, extinction coefficient, normal incidence reflectivity, optical conductivity, optical absorption coefficient and energy loss function. Several calculated results have been compared with available experimental and other theoretical data.     

Optical properties in binary Si: H alloy from disilane

Binary Si: H alloy films having a wide optical band gap have been prepared by r.f. glow discharge of disilane. The optical band gap and the infrared absorption spectrum have been measured for those binary alloy films. The infrared absorption strength for 850 cm^-1 peak and the vibrational freqcencies for all absorption peaks are increased with an increase in the optical band gap. This sugests the (SiH₂)_n group formation in a wide optical gap film.     

Effect of severe plastic deformation on the properties of the Pt<Subscript>3</Subscript>Fe antiferromagnet

The effect of atomic disordering on the magnetic, electrical, and optical properties of the Pt_74.1Fe_25.9alloy close in composition to the stoichiometric Pt₃Fe alloy has been studied. It has been shown that, as a result of severe plastic torsional deformation under high pressure, the alloy transforms from the antiferromagnetic state (T _N=164 K) into the ferromagnetic state (T _C≈400 K). In this case, the residual electrical resistivity increases by a factor of more than two and the thermopower changes its sign from positive to negative. The results of the studies of the optical conductivity agree with the previously calculated electronic spectra of the atomically ordered and disordered Pt₃Fe alloys in the range of interband transitions and with the obtained data on the electrical properties in the infrared range.     

InP-based InGaAs/InAlGaAs digital alloy quantum well laser structure at 2 μm

The structural and optical characteristics of InP-based compressively strained InGaAs quantum wells have been significantly improved by using gas source molecular beam epitaxy grown InAs/In 0.53 Ga 0.47 As digital alloy triangular well layers and tensile In 0.53 Ga 0.47 As/InAlGaAs digital alloy barrier layers.The x-ray diffraction and transmission electron microscope characterisations indicate that the digital alloy structures present favourable lattice quality.Photoluminescence (PL) and electroluminescence (EL) measurements show that the use of digital alloy barriers offers better optical characteristics than that of conventional random alloy barriers.A significantly improved PL signal of around 2.1 μm at 300 K and an EL signal of around 1.95 μm at 100 K have been obtained.     

Theoretical and experimental investigations of the properties of Ge2Sb2Te5 and indium-doped Ge2Sb2Te5 phase change material

We have carried out comprehensive computational and experimental study on the face-centered cubic Ge₂Sb₂Te₅ (GST) and indium (In)-doped GST phase change materials. Structural calculations, total density of states and crystal orbital Hamilton population have been calculated using first-principle calculation. 5 at.% doping of In weakens the Ge–Te, Sb–Te and Te–Te bond lengths. In element substitutes Sb to form In–Te-like structure in the GST system. In–Te has a weaker bond strength compared with the Sb–Te bond. However, both GST and doped alloy remain in rock salt structure. It is more favorable to replace Sb with In than with any other atomic position. X-ray diffraction (XRD) analysis has been carried out on thin film of In-doped GST phase change materials. XRD graph reveals that In-doped phase change materials have rock salt structure with the formation of In₂Te₃ crystallites in the material. Temperature dependence of impedance spectra has been calculated for thin films of GST and doped material. Thickness of the as-deposited films is calculated from Swanepoel method. Absorption coefficient (α) has been calculated for amorphous and crystalline thin films of the alloys. The optical gap (indirect band gap) energy of the amorphous and crystalline thin films has also been calculated by the equation \( \alpha h\nu = \beta (h\nu - E_{\text{g }} )^{2} \) . Optical contrast (C) of pure and doped phase change materials have also been calculated. Sufficient optical contrast has been found for pure and doped phase change materials.     

FP-LMTO method to calculate the structural,thermodynamic and optoelectronic properties of SixGe1−xC alloys

The structural and electronic properties of the ternary Si_xGe_1?xC alloys have been calculated using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory within both local density approximation (LDA) and generalised gradient approximation (GGA). The calculated equilibrium lattice constants and bulk moduli are compared with previous results. The concentration dependence of the electronic band structure and the direct and indirect band gaps are investigated. Using the approach of Zunger and co-workers, the microscopic origins of the band gap bowing are investigated also. Moreover, the refractive index and the optical dielectric constant for Si_xGe_1?xC are studied. The thermodynamic stability of the alloys of interest is investigated by means of the miscibility. This is the first quantitative theoretical prediction to investigate the effective masses, optical and thermodynamic properties for Si_xGe_1?xC alloy, and still awaits experimental confirmations.     

Optical and acoustic properties of TeO2/WO3 glasses with small amount of additive ZrO2

The optical and acoustic properties of tellurite glasses in the system TeO₂/ZrO₂/WO₃ have been investigated. The refractive index at different wavelengths and the optical spectra of the glasses have been measured. From the refractive index and absorption edge studies for prepared glasses, the optical parameter viz; optical band gap (E_opt), Urbach energy, (ΔE), dispersion energy, E_d, and the average oscillator energy, E₀, have been calculated. Sound velocities were measured by pulse echo technique. From these velocities and densities values, various elastic moduli were calculated. The variations in the refractive index, optical energy gap and elastic moduli with WO₃ content have been discussed in terms of the glass structure. Quantitatively, we used the bond compression model for analyzing the room temperature elastic moduli data. By calculating the number of bonds per unit volume, the average stretching force constant, and the average ring size we can extract valuable information about the structure of the present glasses.     

Optical properties of amorphous SixGe1−x(H) alloys prepared by R.F. Glow discharge

Amorphous alloys of Si and Ge have been prepared over the entire composition range by r.f. plasma decomposition of mixed gases of SiH₄ and GeH₄. The optical absorption edge is found to have a linear dependence on alloy composition given by: E_g = 0.95 + 0.70x (eV).     

应力导致InAs/In0.15Ga0.85As量子点结构中In0.15Ga0.85As阱层的合金分解效应研究

利用固源分子束外延技术，在In_0.15Ga_0.85As/GaAs量子阱生长了两个InAs/In_0.15Ga_0.85As量子点(DWELL)样品.通过改变其中一个InAs DWELL样品中的In_0.15Ga_0.85As阱层的厚度和生长温度，获得了量子点尺寸增大而且尺寸分布更均匀的结果.结合光致发光光谱(PL)和压电调制光谱(PzR)实验结果，发现该样品量子点的光学性质也同时得到 关键词： 合金分解效应 0.15Ga_0.85As量子点')" href="#">InAs/In_0.15Ga_0.85As量子点 光致发光光谱 压电调制光谱     

Energy spectrum and optical transitions in C80 fullerene isomers

The energy spectra of all isomers of the C₈₀ fullerene have been calculated in terms of the Schubin-Wonsowskii-Hubbard model. On this basis, their optical absorption spectra have also been calculated. The optical absorption spectra calculated for the endohedral Ca@C₈₀, Ba@C₈₀, and Sr@C₈₀ fullerenes with the I _h symmetry agree well with the experimental data. This circumstance allows us to conclude that the optical absorption spectra of other isomers (for which experimental data are unavailable) obtained in this work can be used for their identification.     

Composition dependence of the optical properties and band structure of the zinc-blende ZnS1-xOx: a first principles study

We present first principles calculations of structural, electronic and optical properties of ZnS_1?xO_x in the zinc-blende phase. We employ the full potential linearized augmented plane wave method within the density functional theory in the generalized gradient approximation and Engel–Vosko generalized gradient approximation. Features such as the lattice constant, the bulk modulus and its pressure derivative are reported. The agreement between our calculated results and available experimental and theoretical data is generally good. Direct and indirect energy band gaps as a function of the oxygen composition in the material of interest are presented and discussed. The material under investigation is found to remain a direct band gap semiconductor over all the alloy composition range (0–1). Furthermore, the optical properties such as the dielectric function, the refractive index, the reflectivity and the electron loss energy have also been reported and analysed.     

Thermodynamic description of the viscosity of liquid solder alloys with minor Co impurities

Because of the increasing complexity and cost of experiments carried out, the data for the multi-component alloy systems have frequently been obtained by numerical modelling. It is clear that the related calculations require reliable data dealing with the pure components and binary alloy systems. Selecting the reliable data concerning the pure components from the literature, the viscosities for the SAC and (SAC)_1?x Co_x solder alloys have been calculated using different viscosity models (geometric and physical). The viscosity decreases as the amount of tin content increases in the SAC387 alloy while the addition of the cobalt to SAC387 solder results in the increasing of the viscosity. Moreover, by computing the root mean square values between theoretical and experimental viscosities, it can be concluded that the lowest value among all models is that of obtained by Kaptay equation.     

EPR and optical spectroscopy of the Tm2+ ion in the KMgF3 single crystal

Paramagnetic Tm²⁺ ion centers in the KMgF₃ single crystal have been studied by electron paramagnetic resonance and optical spectroscopy. The Stark level energies of the cubic Tm²⁺ multiplets have been established from the luminescence spectra and the crystal field parameters have been calculated. Information about the phonon spectra of KMgF₃ crystals has been obtained from the electron-vibrational structure of the optical luminescence spectra.     

Effects of laser irradiation on optical properties of a-Se100−x Te x thin films

The effect of laser irradiation on the optical properties of thermally evaporated Se_100?x Te _x (x=8, 12, 16) chalcogenide thin films has been studied. The result shows that the irradiation causes a shift in the optical gap. The results have been analyzed on the basis of laser irradiation-induced defects in the film. The width of the tail of localized state in the band gap has been evaluated using the Urbach edge method. As the irradiation time increases, the values of the optical energy gap for all compositions decrease, while tail energy width increases. It is also observed that the optical energy gap decreases with increasing Te content in the alloy. These changes are a consequence of an increment in disorder produced by laser irradiation in the amorphous structure of thin film.