Intersubband energies in Al1−yInyN/Ga1−xInxN heterostructures with lattice constant close to aGaN

We have studied the conduction band profile and the intersubband transition energy, E₁₂, of Al_1−yIn_yN/Ga_1−xIn_xN quantum well structures. We have considered how material parameters such as non-parabolicity and the uncertainty in the bowing parameter affect E₁₂ and the corresponding wavelength, λ₁₂. The calculations include strain and cover the transition range from telecommunication wavelengths (1.55 μm) to the mid-infrared (∼ 10 μm).     

High Bs nanocrystalline Fe84−x−yCuxNbySi4B12 alloys (x=0.0-1.4, y=0.0-2.5)

In this study, Cu and Nb content dependences of magnetic properties for annealed Fe_84−x−yCu_xNb_ySi₄B₁₂ alloy ribbons fabricated by melt spinning were investigated. In Fe_83−xCu_xNb₁Si₄B₁₂ alloy systems, the coercivity H_c markedly decreases with increasing x and exhibits a minimum at around x=1.0-1.2, while the saturation magnetic flux density B_s shows a slight variation. In Fe_83−yCu₁Nb_ySi₄B₁₂ alloy systems, H_c markedly decreases at around y=0.5, while B_s shows a monotonic decrease. Fe₈₂Cu₁Nb₁Si₄B₁₂ nanocrystalline alloy ribbons exhibit a high B_s of 1.78 T and a low H_c of 3.2 A/m. The core losses of the present alloys at 1.0 T at 400 Hz, P_10/400, and at 1.0 T at 1 kHz, P_10/1k, are 1.3 and 4.4 W/kg, respectively.     

Experimental investigation of long-wavelength optical lattice vibrations in quaternary AlxInyGa1−x−yN alloys and comparison with results from the pseudo-unit cell model

Raman and Fourier transform infrared (FTIR) spectroscopies have been utilized to measure long-wavelength optical lattice vibrations of high-quality quaternary Al_xIn_yGa_1−x−yN thin films at room temperature. The Al_xIn_yGa_1−x−yN films were grown on c-plane (0 0 0 1) sapphire substrates with AlN as buffer layers using plasma assisted molecular beam epitaxy (PA-MBE) technique with aluminum (Al) mole fraction x ranging from 0.0 to 0.2 and constant indium (In) mole fraction y=0.1. Pseudo unit cell (PUC) model was applied to investigate the phonons frequency, mode number, static dielectric constant, and high frequency dielectric constant of the Al_xIn_yGa_1−x−yN mixed crystals. The theoretical results were compared with the experimental results obtained from the quaternary samples by using Raman and FTIR spectroscopies. The experimental results indicated that the Al_xIn_yGa_1−x−yN alloy had two-mode behavior, which includes A₁(LO), E₁(TO), and E₂(H). Thus, these results are in agreement with the theoretical results of PUC model, which also revealed a two-mode behavior for the quaternary nitride. We also obtained new values of E₁(TO) and E₂(H) for the quaternary nitride samples that have not yet been reported in the literature.     

Band gap energy and bowing parameter of In-rich InAlN films grown by magnetron sputtering

The crystal structure, band gap energy and bowing parameter of In-rich In_xAl_1−xN (0.7 < x < 1.0) films grown by magnetron sputtering were investigated. Band gap energies of In_xAl_1−xN films were obtained from absorption spectra. Band gap tailing due to compositional fluctuation in the films was observed. The band gap of the as-grown InN measured by optical absorption method is 1.34 eV, which is larger than the reported 0.7 eV for pure InN prepared by molecular beam epitaxy (MBE) method. This could be explained by the Burstein-Moss effect under carrier concentration of 10²⁰ cm⁻³ of our sputtered films. The bowing parameter of 3.68 eV is obtained for our In_xAl_1−xN film which is consistent with the previous experimental reports and theoretical calculations.     

Dependence of the interband transitions on the in mole fraction and the applied electric field in InxGa1−xAs/In0.52Al0.48As multiple quantum wells

Transmission electron microscopy (TEM) and photocurrent (PC) measurements were carried out to investigate the microstructural properties and excitonic transitions in In_xGa_1−xAs/In_0.52Al_0.48As multiple quantum wells (MQWs) for x = 0.54, 0.57 and 0.60. TEM images showed that high-quality 11-period In_xGa_1−xAs/In_0.52Al_0.48As MQWs had high-quality heterointerfaces. The results for the PC spectra at 300 K showed that the peaks corresponding to the excitonic transitions from the ground state electronic sub-band to the ground state heavy-hole band (E₁-HH₁) and the ground state electronic sub-band to the ground state light-hole band (E₁-LH₁) became closer to each other with decreasing In mole fraction and that E₁-HH₁ and E₁-LH₁ excitonic peaks shifted to longer wavelength with increasing applied electric field. The calculated values of the E₁-HH₁ interband transition energies were in qualitative agreement with those obtained form the PC measurements with and without applied electric field. These results can be helpful in understanding potential applications of In_xGa_1−xAs/In_yAl_1−yAs MQWs dependent on In mole fraction and applied electric field in long-wavelength optoelectronic devices.     

Structural and magnetic properties of ferromagnetic In1−xMnxAs1−yPy layers

The structural and magnetic properties of epitaxial In_1−xMn_xAs_1−yP_y quaternary layers with Mn content ranging from 0.01 to 0.04 and phosphorous content ranging from 0.11 to 0.21 were studied. X-ray diffraction indicated that the films were two phase consisting of an InMnAsP solid solution and hexagonal MnAs nanoprecipitates. Addition of phosphorus promoted precipitate formation. Films were ferromagnetic showing hysteretic behavior in the field dependence of magnetization at 5 and 298 K. From field-cooled magnetization measurements ferromagnetic transitions were observed at 280 and 325 K. The zero field-cooled magnetization versus temperature measurements showed irreversibility for T<300 K that was attributed to the presence of MnAs nanoprecipitates. The calculated coercivity using the Neel model was 1380 G compared to the experimental value of 380 G at 5 K. The difference was attributed to a strong inter-cluster exchange that stabilizes the ferromagnetic state.     

Thermal annealing effect of on optical constants of vacuum evaporated Se75S25−xCdx chalcogenide thin films

Chalcogenide glasses are interesting materials due to their infrared transmitting properties and photo induced effects exhibited by them. Thin films with thickness of 3000 Å of the glasses Se₇₅S_25−xCd_x with x=6, 8 and 10 at% prepared by melt quench technique were evaporated by thermal evaporation onto glass substrates under a vacuum of 10⁻⁶ Torr. The optical constants (absorption coefficient, refractive index and extinction coefficient) of as-prepared and annealed films have been studied as a function of photon energy in the wave length region 400-1000 nm. Analysis of the optical absorption data shows that the rule of non-direct transitions predominates. It has been found that the absorption coefficient and optical band gap increase with increasing annealing temperatures. The refractive index (n) and the extinction coefficient (k) were observed to decrease with increasing annealing temperature.     

Optical and physical properties of different composition of InxSe1−x thin films

Thin film binary alloys of In_xSe_1−x (0.05?x?0.30) have been prepared by the thermal evaporation technique. The optical transmission and reflection spectrum of these films were measured in the range 300-1100 nm. Both refractive index, n and extinction coefficient k have been determined from transmission and reflection measurements in terms of Murmann's equations. The dispersion of the refractive index is discussed in terms of the single-oscillator Wemple-DiDomenico model. The width of band tail is determined and the optical absorption edge is described using the ‘non-direct transition’ model proposed by Tauc. Finally, the relationship between the optical gap and chemical composition in In_xSe_1−x amorphous system is discussed in terms of the average heat of atomization H_s and average coordination number N_c. The results of these calculations can be used rationalize the observed optical properties of these materials. Finally, the chemical bond approach has been also applied to interpret the decrease of the glass optical gap with increasing In content.     

First principles investigation of optical properties of zinc-blende AlxGa1−xAs1−yNy materials

We have performed a first-principle Full Potential Linearized Augmented Plane Waves calculation within the local density approximation (LDA) to the zinc-blende Al_xGa_1−xAs_1−yN_y to predict its optical properties as a function of N and Al mole fractions. The accurate calculations of electronic properties such as band structures and optical properties like refractive index, reflectivity and absorption coefficient of Al_xGa_1−xAs and Al_xGa_1−xAs_1−yN_y with x≤0.375 and y up to 4% are presented. Al_xGa_1−xAs on GaAs have a lattice mismatch less than 0.16% and the lattice constant of Al_xGa_1−xAs has a derivation parameter of 0.0113±0.0024. The band gap energies are calculated by LDA and the band anticrossing model using a matrix element of C_MN=2.32 and a N level of E_N=(1.625+0.069x) eV. The results show that Al_xGa_1−xAs can be very useful as a barrier layer in separate confinement heterostructure lasers and indicate that the best choice of x and y Al_xGa_1−xAs_1−yN_y could be an alternative to Al_xGa_1−xAs when utilized as active layers in quantum well lasers and high-efficiency solar cell structures.     

Theoretical investigation of the conduction and valence band offsets of GaAs1−x Nx/GaAs1−yNy heterointerfaces

Theoretical investigations of the conduction band offset (CBO) and valence band offset (VBO) of the relaxed and pseudo-morphically strained GaAs_1−xN_x/GaAs_1−yN_y heterointerfaces at various nitrogen concentrations (x and y) within the range 0-0.05 and along the [0 0 1] direction are performed by means of the model-solid theory combined with the empirical pseudopotential method under the virtual crystal approximation that takes into account the effects of the compositional disorder. It has been found that for y < x, the CBO and VBO have negative and positive signs, respectively, whereas the reverse is seen when y > x. The band gap of the GaAs_1−xN_x over layer falls completely inside the band gap of the substrate GaAs_1−yN_y and thus the alignment is of type I (straddling) for y < x. When y > x, the alignment remains of type I but in this case it is the band gap of the substrate GaAs_1−yN_y which is fully inside the band gap of the GaAs_1−xN_x over layer. Besides the CBO, the VBO and the relaxed/strained band gap of two particular cases: GaAs_1−xN_x/GaAs and GaAs_1−xN_x/GaAs_0.98N_0.02 heterointerfaces have been determined.     

Optical and FTIR properties of Se93−XZn2Te5InX chalcogenide glasses

In this work, we report the optical properties of bulk Se_93−XZn₂Te₅In_X (X=0, 2, 4, 6 and 10) chalcogenide glasses. Refractive index, extinction coefficient, real dielectric constant (ε′), imaginary dielectric constant (ε″), absorption coefficient (α) and energy band gap were obtained from analysis of common range (250-1100 nm) UV/Visible transmittance spectrum. Besides, transmission percentages were obtained from FTIR spectra in wave number range 4000-400 cm⁻¹.The concentration dependence structural phenomena have been explained with help of average coordination 〈z〉.     

Influence of indium content on the optical, electrical and crystallization kinetics of Se100−xInxthin films deposited by flash evaporation technique

Thin films of Se _100−xIn_x (x=10, 20 and 30 at%) have been prepared by the flash evaporation technique. The effect of the indium content on optical band gap of the Se_100−x In_x films has been investigated by the optical characterization. The optical band gap values of the Se_100−x In_x thin films were determined and are found to decrease with increasing indium content. This indium content changes the width of localized states in the optical band gaps of the thin films. It was found that the optical band gap, E_g, of the Se_100−x In_x films changes from 1.78 to 1.37 eV with increasing indium content from 10 to 30 at%, while the width of localized states in optical band gap changes from 375 to 342 meV. The temperature dependence of the dark electrical conductivity were studied in the temperature range 303-433 K and revealed two activation energies providing two electrical conduction mechanisms. The activation energy of the Se_100−x In_x films in the high temperature region changes from 0.49 to 0.32 eV with increasing indium content from 10 to 30 at%, while the hopping activation energy in the lower temperature region changes from 0.17 to 0.22 meV. The change in the electrical conductivity with time during the amorphous-to-crystalline transformation is recorded for amorphous Se_100−xIn_x films at two points of isothermal temperatures 370 and 400 K. The formal crystallization theory of Avrami has been used to calculate the kinetic parameters of crystallization.     

(Mo + N) codoped TiO2 for enhanced visible-light photoactivity

A series of Ti_1−xMo_xO_2−yN_y samples were prepared by using sol-gel method and characterized by X-ray diffraction, transmission electron microscopy and UV-vis absorption spectroscopy. All Ti_1−xMo_xO_2−yN_y samples are anatase phase. It is found that Mo, N mono-doping can increase visible light absorption, while (Mo + N) co-doping can greatly enhance absorption in whole visible region. Results of our first-principles band structure calculations reveal that (Mo + N)-doping, especially passivated co-doping can increase the up-limit of dopant concentration and create more impurity bands in the band gap of TiO₂, which leads to a greatly increase of its visible-light absorption without a decrease of its redox potential. It reveals that (Mo + N) co-doped TiO₂ is promising for a photocatalyst with high photocalystic activity under visible light.     

Numerical optimization of In-mole fractions and layer thicknesses in AlxGa1−xN/AlN/GaN high electron mobility transistors with InGaN back barriers

The effects of the In-mole fraction (x) of an In_xGa_1−xN back barrier layer and the thicknesses of different layers in pseudomorphic Al_yGa_1−yN/AlN/GaN/In_xGa_1−xN/GaN heterostructures on band structures and carrier densities were investigated with the help of one-dimensional self-consistent solutions of non-linear Schrödinger-Poisson equations. Strain relaxation limits were also calculated for the investigated Al_yGa_1−yN barrier layer and In_xGa_1−xN back barriers. From an experimental point of view, two different optimized structures are suggested, and the possible effects on carrier density and mobility are discussed.     

Residual strain and alloying effects on the vibrational properties of step-graded InxAl1−xAs layers grown on GaAs

Lattice-relaxed In_xAl_1−xAs-graded buffer layers grown by MBE on GaAs substrate have been studied by micro-Raman scattering and photoluminescence (PL). In these heterostructures, the indium composition was gradually increased in six or four intermediate layers each of 100 nm thickness. The alloying effect in the In_xAl_1−xAs layers has been interpreted using the modified random element isodisplacement (MREI) formalism. The dependence in the MREI model of the longitudinal optical (LO) phonon energy and the In composition in the InAlAs alloy with PL measurements and Raman analysis allow the evaluation of disorder degree and give the In composition in the InAlAs active layers. The obtained InAs- and AlAs-like phonon frequencies from the fitting of Raman spectra are in reasonable agreement with those calculated according to the MREI model. Raman spectra show that InAs-like phonon frequencies are not strongly dependent either on the buffer structure or on the residual strain in the active layers. Using the AlAs-like LO phonon frequency shifts, we have calculated the residual strain in the In_xAl_1−xAs active layer. Raman results show that the slope of the grade is an important parameter that allows the growth of samples with good quality. The lower residual strain value was obtained by thick buffer with a smaller grading rate. PL measurements show that In compositions of active layers of the different studied samples are slightly higher than those measured during growth.     

Theoretical studies of structural, elastic, electronic and lattice dynamic properties of AlxYyB1−x−yN quaternary alloys

A theoretical study on the structural, elastic, electronic and lattice dynamic properties of Al_xY_yB_1−x−yN quaternary alloys in zinc-blend phase has been carried out with first-principles methods. Information on the lattice parameter, the lattice matching to available substrates and energy band-gaps is a prerequisite for many practical applications. The dependence of the lattice parameter a, bulk modulus B, elastic constants C₁₁, C₁₂ and C₄₄, band-gaps, optical phonon frequencies (ω_TO and ω_LO), the static and high-frequency dielectric coefficients ε (0) and ε (∞) and the dynamic effective charge Z^? were analyzed for y=0, 0.121, 0.241, 0.362 and 0.483. A significant deviation of the bulk modulus from linear concentration dependence was observed. A set of isotropic elastic parameters and related properties, namely bulk and shear moduli, Young's modulus, Poisson's ratio are numerically estimated in the frame work of the Voigt-Reuss-Hill approximation. The resistance to changes in bond length and lateral expansion in Al_xY_yB_1−x−yN increase with increasing y concentration. We observe that at y concentration about 0.035 and 0.063, Al_xY_yB_1−x−yN changes from brittle to ductile and Γ-X indirect fundamental gap becomes Γ-Γ direct fundamental gap. There is good agreement between our results and the available experimental data for the binary compound AlN, which is a support for those of the quaternary alloys that we report for the first time.     

Effect of Co or Mn addition on the soft magnetic properties of amorphous Fe89−xZr11Bx (x=5, 10) alloy ribbons

The temperature and field dependent magnetic properties of melt-spun amorphous Fe_89−x−yZr₁₁B_x(Co,Mn)_y (x=5, 10 and 0≤y≤10) alloys in the temperature range 5-1200 K are reported. The Curie temperature and saturation magnetization at room temperature increase (decrease) almost linearly with Co (Mn) addition. With increasing Co concentration, the room temperature coercivity increases at the rate of 2.26 (0.28) A/m per at% for the x=5 (10) samples. The high-field magnetic susceptibility and local magnetic anisotropy decrease (increases) rapidly with increasing Co (Mn) concentration. The thermomagnetic curves show a marked increase in magnetization above 850 K corresponding to the crystallization of α-FeCo (α-Fe) phase in samples containing Co (Mn). The Curie temperature of the crystalline phase increases (remains same) with increasing Co (Mn) concentration with the formation of α-FeCo (α-Fe). Addition of Co up to 10 at% in Fe-Zr-B improves the room temperature saturation magnetization from 0.56 to 1.2 T, and Curie temperature from 315 to 476 K. Also, the coercivity increases with Co addition from 1.27 to 23.88 A/m for x=5 and from 7.64 to 10.35 A/m for x=10 alloy. The non-collinear spin structures that characterize Fe rich Fe-Zr-B amorphous alloys have been used to describe the observed results.     

Exciton in wurtzite GaN/AlxGa1−xN coupled quantum dots

Based on effective-mass approximation, we present a three-dimensional study of the exciton in GaN/Al_xGa_1−xN vertically coupled quantum dots (QDs) by a variational approach. The strong built-in electric field due to the piezoelectricity and spontaneous polarization is considered. The relationship between exciton states and structural parameters of wurtzite GaN/Al_xGa_1−xN coupled QDs is studied in detail. Our numerical results show that the strong built-in electric field in the GaN/Al_xGa_1−xN strained coupled QDs leads to a marked reduction of the effective band gap of GaN QDs. The exciton binding energy, the QD transition energy and the electron-hole recombination rate are reduced if barrier thickness L^AlGaN is increased. The sizes of QDs have a significant influence on the exciton state and interband optical transitions in coupled QDs.     

B and Pt NMR study of the superconductors Li2(Pd1−xPtx)3B without inversion symmetry

We report the ¹¹B and ¹⁹⁵Pt NMR measurements in non-centrosymmetric superconductors Li₂(Pd_1−xPt_x)₃B (x = 0.0, 0.2, 0.5, 1.0). From the measurements of spin–lattice relaxation time (T₁), we found that there was a coherence peak (CP) just below superconducting transition temperature (T_c) for x = 0–0.5 but no CP in x = 1. We demonstrated that the system for x = 0–0.5 were BCS superconductors but there existed line node in the superconducting gap for x = 1.0. The ¹⁹⁵Pt Knight Shift in x = 0.2 decreased below T_c, indicating spin-singlet state. The results showed that BCS superconducting state evolves into an exotic state with line-nodes in the gap function when x is increased, as the spin–orbit coupling is enhanced.     

Luminescent properties of KGd1−x(WO4)2:Eux and KGd1−x(WO4)2−y(MoO4)y:Eux phosphors in UV-VUV regions

KGd_1−x(WO₄)_2−y(MoO₄)_y:Eu³⁺_x(0.1?x?0.75, y=0 and 0.2) phosphors are synthesized through traditional solid-state reaction and their luminescent properties in ultraviolet (UV) and vacuum ultraviolet (VUV) regions are investigated. Under 147 nm excitation, these phosphors show characteristic red emission with good color purity. In order to improve their emission intensity, the MoO₄²⁻ (20 wt%) is introduced into the anion of KGd_1−x(WO₄):Eu³⁺_x. The Mo⁶⁺ and Eu³⁺ co-doped KGd(WO₄)₂ phosphors show higher emission intensity in comparison with the singly Eu³⁺-doped KGd(WO₄)₂ in VUV region. The chromaticity coordination of KGd_0.45(WO₄):Eu³⁺_0.55 is (x=0.669, y=0.331), while that of KGd_0.45(WO₄)_1.8(MoO₄)_0.2:Eu³⁺_0.55 is (x=0.666, y=0.334) in VUV region.