Influence of the built-in electric field on luminescent properties in self-formed single InxGa1−xN/GaN quantum dots

Based on the framework of effective-mass approximation and variational approach, luminescent properties are investigated theoretically in self-formed wurtzite In_xGa_1−xN/GaN quantum dots (QDs), considering the three-dimensional confinement of electron and hole pair and the strong built-in electric field effects due to the piezoelectricity and spontaneous polarization. The exciton binding energy, the emission wavelength and the oscillator strength as functions of the different structural parameters (the height L and the radius R) are calculated with and without the built-in electric field in detail. The results elucidate that the strong built-in electric field has a significant influence on luminescent properties of In_xGa_1−xN/GaN QDs.     

Influence of the built-in electric field on luminescent properties in self-formed single-GaN/AlxGa1−xN quantum dots

Based on the framework of effective-mass approximation and variational approach, the luminescent properties are investigated theoretically in self-formed wurtzite GaN/Al_xGa_1−xN single-quantum dots (QDs). Considering the three-dimensional (3D) confinement of electron and hole pair and the strong built-in electric field effects, the exciton binding energy, the emission wavelength and the oscillator strength are calculated with and without the built-in electric field in detail. The results elucidate that the strong built-in electric field has a significant influence on luminescent properties of GaN/Al_xGa_1−xN QDs.     

Studies of the third-order nonlinear optical susceptibility for InxGa1−xN/GaN cylinder quantum dots

The resonant third-order susceptibilities at various directions (both parallel and vertical to Z-axis) in self-assembled quantum dots (QDs) have been investigated. The nonlinear susceptibilities associated with the intraband transition in the conduction band are theoretically calculated for wurtzite In_xGa_1−xN/GaN-strained cylinder QDs. The confined wave functions and energies of electrons in the dots have been calculated in the effective-mass approximation by solving the 3D Schrödinger equation, in which a strong built-in electric field effect due to the piezoelectricity and spontaneous polarization has been taken into account. Furthermore, it is shown that the magnitude and the resonant position of the nonlinear susceptibility χ⁽³⁾(3ω) strongly depend on the dots’ size as well as size distribution.     

Band offset calculations applied to III–V nitride quantum well device engineering

Band offset calculations for zinc-blende pseudomorphically strained Al_1−xGa_xN/Al_1−yGa_yN and In_xGa_1−xN/In_yGa_1−yN interfaces have been performed on the basis of the model solid theory combined with ab initio calculations. From the results obtained, we have calculated, separately, the valence and conduction band discontinuities of In_xGa_1−xN/GaN and GaN/Al_1−xGa_xN as a function of the indium and gallium contents respectively. Using the latter results, we have extended our study to simulate band discontinuities for strained Ga_1−xIn_xN/relaxed Al_1−yGa_yN heterointerfaces. Information derived from this investigation will be useful for the design of lattice mismatched heterostructures in modeling optoelectronic devices emitting at ultraviolet to near infrared wavelengths.     

Blue cathodoluminescence from thulium implanted AlxGa1−xN and InxAl1−xN

Room temperature cathodoluminescence (RTCL) was obtained from Tm implanted Al_xGa_1−xN with different AlN contents (in the range 0≤x≤0.2) and from implanted In_xAl_1−xN with different InN contents (x=0.13 and 0.19) close to the lattice match with GaN. The Tm³⁺ emission spectrum depends critically on the host material. The blue emission from Al_xGa_1−xN:Tm peaks in intensity for an AlN content of x0.11. The emission is enhanced by up to a factor of 50 times with an increase of annealing temperature from 1000 to 1300 C. The blue emission from In_0.13Al_0.87N:Tm, annealed at 1200 C, is more than ten times stronger than that from Al_xGa_1−xN:Tm, x≤0.2. However, the intensity decreases significantly as the InN fraction increases from 0.13 to 0.19.     

Optical-field profiles in InxGa1−xN -MQW laser structures

In this paper, we calculated the optical fields for In_xGa_1−xN-multiquantum well (MQW) laser structures. Two different optical cavities are compared, the conventional step separate confinement heterostructure (Step) and a graded-index (GRIN) structure with a parabolic variation of the Al content in the Al_xGa_1−xN guide layers. A comparison is made regarding the confinement factor, near- and far-field patterns. An anomalous behavior for the confinement factor is observed in the structure, and it can be eliminated by choosing an appropriated combination of the layer’s thicknesses forming the waveguide. For Al_xGa_1−xN, an improved expression for the refractive index is presented, which shows better agreement with experimental data than previously reported expressions.     

First-principles calculations to investigate optical properties of ByAlxIn1−x−yN alloys for optoelectronic devices

First-principles density-functional theory of Full-Potential Linear Augmented Plane Wave (FP-LAPW) within local density approximation (LDA) of the optical properties of B_yAl_xIn_1−x−yN systems (with x = 0.187 and y = 0.062, 0.125 and 0.187) has been performed. Substitutional atoms of Boron induced in small amounts into the (Al_xIn_1−x)-cationic sublattice of AlInN affects the energy gap of BAlInN. The higher band gap of Al_0.375In_0.625N alloy can form a useful quantum well (QW) laser structure. A best choice of B-content, B_yAl_xIn_1−x−yN could be an alternative to Al_xIn_1−xN. The results of accurate calculations of the band structures and optical properties show the better performance characteristics belong to the structure containing B-content (y) of 12.5%. The NaCl metallic B_yAl_0.1875In_0.8125−yN has a direct character for y = 12.5%. The imaginary part of dielectric function, reflectivity, refractive index, absorption coefficient and optical conductivity are investigated well and provide reasonable results for optoelectronic devices applications.     

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.     

Structural and optical properties of In0.5Ga0.5As/GaAs quantum dots in an In0.1Ga0.9As well using repeated depositions of InAs/GaAs short-period superlattices for the application of optical communication

We report structural and optical properties of In_0.5Ga_0.5As/GaAs quantum dots (QDs) in a 100 Å-thick In_0.1Ga_0.9As well grown by repeated depositions of InAs/GaAs short-period superlattices with atomic force microscope, transmission electron microscope (TEM) and photoluminescence (PL) measurement. The QDs in an InGaAs well grown at 510 °C were studied as a function of n repeated deposition of 1 monolayer thick InAs and 1 monolayer thick GaAs for n=5–10. The heights, widths and densities of dots are in the range of 6–22.0 nm, 40–85 nm, and 1.6–1.1×10¹⁰/cm², respectively, as n changes from 5 to 10 with strong alignment along [1 −1 0] direction. Flat and pan-cake-like shape of the QDs in a well is found in TEM images. The bottoms of the QDs are located lower than the center of the InGaAs well. This reveals that there was intermixing—interdiffusion—of group III materials between the InGaAs QD and the InGaAs well during growth. All reported dots show strong 300 K-PL spectrum, and 1.276 μm (FWHM: 32.3 meV) of 300 K-PL peak was obtained in case of 7 periods of the QDs in a well, which is useful for the application to optical communications.     

Structure, ferroelectric and piezoelectric properties of (Bi1−x−yNa0.925−x−yLi0.075)0.5BaxSryTiO3 lead-free piezoelectric ceramics

Lead-free multi-component ceramics (Bi_1−x−yNa_{0.925−x−y}Li_0.075)_0.5Ba_xSr_yTiO₃ have been prepared by an ordinary sintering technique and their structure and electrical properties have been studied. All the ceramics can be well-sintered at 1100 °C. X-ray diffraction patterns shows that Li⁺, Ba²⁺ and Sr²⁺ diffuse into the Bi_0.5Na_0.5TiO₃ lattices to form a new solid solution with a pure perovskite structure, and a morphotropic phase boundary (MPB) is formed at 0.04 < x < 0.08. As compared to pure Bi_0.5Na_0.5TiO₃ ceramic, the coercive field E_C of the ceramics decreases greatly and the remanent polarization P_r of the ceramics increases significantly after the formation of the multi-component solid solution. Due to the MPB, lower E_C and higher P_r, the piezoelectricity of the ceramics is greatly improved. For the ceramics with the compositions near the MPB (x = 0.04–0.08 and y = 0.02–0.04), piezoelectric coefficient d₃₃ = 133–193 pC/N and planar electromechanical coupling factor k_P = 16.2–32.1%. The depolarization temperature T_d reaches a minimum value near the MPB. The temperature dependences of the ferroelectric and dielectric properties suggest that the ceramics may contain both the polar and non-polar regions at temperatures near/above T_d.     

Highly strained InxGa(1−x)As−InyAl(1−y)As (x>0.8,y<0.3) layers for short wavelength QWIP and QCL structures grown by MBE

Highly strained quantum cascade laser (QCL) and quantum well infrared photodetector (QWIPs) structures based on In_xGa_(1−x)As−In_yAl_(1−y)As (x>0.8,y<0.3) layers have been grown by molecular beam epitaxy. Conditions of exact stoichiometric growth were used at a temperature of 420°C to produce structures that are suitable for both emission and detection in the 2–5 μm mid-infrared regime. High structural integrity, as assessed by double crystal X-ray diffraction, room temperature photoluminescence and electrical characteristics were observed. Strong room temperature intersubband absorption in highly tensile strained and strain-compensated In_0.84Ga_0.16As/AlAs/In_0.52Al_0.48As double barrier quantum wells grown on InP substrates is demonstrated. Γ–Γ intersubband transitions have been observed across a wide range of the mid-infrared spectrum (2–7 μm) in three structures of differing In_0.84Ga_0.16As well width (30, 45, and 80 Å). We demonstrate short-wavelength IR, intersubband operation in both detection and emission for application in QC and QWIP structures. By pushing the InGaAs–InAlAs system to its ultimate limit, we have obtained the highest band offsets that are theoretically possible in this system both for the Γ–Γ bands and the Γ–X bands, thereby opening up the way for both high power and high efficiency coupled with short-wavelength operation at room temperature. The versatility of this material system and technique in covering a wide range of the infrared spectrum is thus demonstrated.     

InAs/AlAs quantum dots with InGaAs insertion layer: dependence of the indium composition and the thickness

We have systematically studied the effect of an In_xGa_1−xAs insertion layer (IL) on the optical and structural properties of InAs quantum dot (QD) structures. A high density of 9.6×10¹⁰ cm⁻² of InAs QDs with an In_0.3Ga_0.7As IL has been achieved on a GaAs (1 0 0) substrate by metal organic chemical vapor deposition. A photoluminescence line width of 25 meV from these QDs has been obtained. We attribute the high density and high uniformity of these QDs to the use of the IL. Our results show that the InGaAs IL is useful for obtaining high-quality InAs QD structures for devices with a 1.3 μm operation.     

Semiempirical tight-binding modelling of III-N-based heterostructures

In this work, we present a second nearest neighbour sp³s^* semi-empirical tight-binding theory to calculate the electronic band structure of heterostructures based on group III-N binary semiconductors and their ternaries. The model Hamiltonian includes the second nearest neighbour (2nn) interactions, the spin–orbit splitting and the nonlinear variations of the atomic energy levels and the bond length with ternary mole fraction. Using this sp³s^* tight-binding approach, we investigated the electronic band structure of Al_1−xGa_xN/GaN and In_1−xGa_xN/GaN heterostructures as a function of composition and interface strain for the entire composition range (0≤x≤1). There is an excellent agreement between the model predictions and experiment for the principal bandgaps at Γ, L and X symmetry points of the Brillouin zone for AlN, GaN and InN binaries and Al_1−xGa_xN and In_1−xGa_xN ternaries. The model predicts that the composition effects on the valence band offsets is linear, but on the conduction band offsets is nonlinear and large when the interface strain and deformation potential is large.     

Dependence of property, crystal structure and electric conductivity on substitution content and synthetic process of T′-La2−xRExCuO4−δ (RE = Sm and Tb)

We synthesized T′-La_2−xRE_xCuO_4−δ (RE = Sm and Tb) by a co-precipitation method and sintering in vacuum at various temperatures, and investigated relationship among the crystal structure, average valence of Cu, oxygen content and electric conductivity. From X-ray diffraction measurements, it was confirmed that a main phase of the product was T′ structure (S. G.: I4/mmm) regardless of the rare earth element and its concentration, although an impurity phase was observed in a part of samples. In the samples with low average valence of Cu, the resistivity showed a metallic behavior and remarkably decreased at low temperature. Rietveld analyses using synchrotron X-ray diffractions suggested that the electric conductivity was improved by decreasing a bond length of Cu–O1 in the case of La_2−xSm_xCuO_4−δ.     

Growth, structural and optical properties of CdxZn1−xS thin films deposited using spray pyrolysis technique

Cd_xZn_(1−x)S (x = 0, 0.2, 0.4, 0.6, 0.8, and 1) thin films were deposited by the chemical spray pyrolysis technique using a less used combination of chemicals. Depositions were done at 573 K on cleaned glass substrates. The composition, surface morphology and structural properties of deposited films were studied using EDAX, SEM and X-ray diffraction technique. XRD studies reveal that all the films are crystalline with hexagonal (wurtzite) structure and inclusion of Cd into the structure of ZnS improved the crystallinity of the films. The value of lattice constant ‘a’ and ‘c’ have been observed to vary with composition from 0.382 to 0.415 nm and 0.625 to 0.675 nm, respectively. The band gap of the thin films varied from 3.32 to 2.41 eV as composition varied from x = 0.0–1.0. It was observed that presence of small amount of cadmium results in marked changes in the optical band gap of ZnS.     

Theoretical investigation of intersubband transition in AlxGa1−xN/GaN/AlyGa1−yN step quantum well

A modified self-consistent method is introduced for the design of Al_xGa_1−xN/GaN step quantum well (SQW) with the position and energy-dependent effective mass. The effects of nonparabolicity are included. It is shown that the nonparabolicity effect is minute for the lowest subband energy level and grows in size for the higher subband states. The effects of nonparabolicicty have significant influence on the transition energies and the oscillator strengths and should be taken into account in the investigation of the optical transitions. The strong asymmetric property introduced by the step quantum well magnifies the weak intersubband transition from the ground state to the third state (1→3). It is shown that in an appropriate scope, the intersubband transition (1→3) has the comparable oscillator strength with transition from the ground state to the second one (1→2), which suggests the possible application of the two-color photodetectors. The results of this work should provide useful guidance for the design of optically pumped asymmetric quantum well lasers and quantum well infrared photodetectors (QWIPs).     

Magnetic properties of FexCo1−x/CoyFe1−yFe2O4 composite under hydrothermal condition

The metal–ferrite composites Fe_xCo_1−x/Co_yFe_1−yFe₂O₄ are synthesized by using disproportion of Fe (II) and reduction of Co (II) by Fe⁰ under hydrothermal condition. The size of the particles of the composites decreases as the [KOH] decreasing. The composites are measured by TEM and it can be deduced that when [KOH] = 0.1, the size of the alloy body-centered cubic (BCC) in composites is 20 ± 7 nm, the size of the Cobalt ferrite (spinel) is 170 ± 50 nm. The maximal value of the saturation magnetization (Ms) of the composite is about 100.14 emu/g, which is synthesized under Co (II)/Fe (II) = 0.05, [KOH] = 1 N, T = 150 °C and t = 3 h. The value of Hc of the composite synthesized under Co (II)/Fe (II) = 0.5, t = 3 h, T = 150 °C and [KOH] = 10.2 mol/L is about 2878.19 Oe. The Fe–Co alloy is synthesized through a reduction reaction of the composites in a flowing gaseous mixture. There is a maximal value (302.9 emu/g) of the Ms for the alloys generated at 1000 °C, which is the Co_0.412Fe_0.588 alloy.     

Self assembled nanoparticle Pb1−xFexSe/single crystal Si heterojunctions

Nanoparticle Pb_1−xFe_xSe (0.00  x  0.16) thin films have been deposited on quartz, glass and silicon substrates by chemical bath deposition technique. Structural and optical properties of the films with iron concentration 0.00  x  0.16 indicate that the films grow as single-phase Pb_1−xFe_xSe ternary alloys with rocksalt structure and with direct optical band gaps (E_g) that increase with decrease in grain size and have values larger than 0.28 eV of the bulk PbSe. Average grain size in films grown at fixed bath temperature T_b of 85 °C is observed to decrease from 72 to 22 nm whereas lattice parameter is observed to increase from 6.12 to 6.14 Å with increase in Fe concentration from x = 0.00 to x = 0.16. The observed blue shift in film materials originates from quantum confinement in the nanograins. Nanoparticle Pb_1−xFe_xSe/single crystal Si heterojunctions show rectifying behavior. On illumination of heterojunctions with visible light current is observed to increase in forward and reverse bias. This increase in current in the presence of visible light is considered to be due to carrier multiplication by Auger electron emission.     

The experimental and theoretical investigation of vibration spectra in ferroelectric semiconductor SbSBrxI1−x crystals

The vapor grown SbSBr_xI_1−x (x=0.1; 0.5; 0.9) crystals with clear mirror surfaces have been used for infrared reflection measurements with Fourier spectrometer. The vibration frequencies along c(z)-axis have been derived from Kramers–Kroning and optical parameters fitting analysis of the experimental reflectivity spectra at T=300 K. The theoretical vibration spectra of SbSBr_xS_1−x (x=0.1; 0.5; 0.9) crystals in paraelectric phase (T=300 K) along c(z)-axis have been determined in quasiharmonic approximation by diagonalization of dynamical matrix. The theoretical vibration spectra of these crystals in a–b(x−y) plane have been determined in harmonic approximation. In this work we discuss the nature of anharmonism in SbSBr_xI_1−x crystals along the c(z)-axis.     

Water incorporation into the Ba2(In1 − xMx)2O5‪ (M = Sc 0 ≤ x < 0.5 and M = Y 0 ≤ x < 0.35) system and protonic conduction

Ba₂(In_1 − xM_x)₂O_{5 − y / 2}(OH)_y‪□_{1 − y / 2} (y ≤ 2; M = Sc³⁺ 0 ≤ x < 0.5 and M = Y³⁺ 0 ≤ x < 0.35) compounds were prepared by reacting Ba₂(In_1 − xM_x)₂O₅‪ phases with water vapor. This reaction is reversible. Analyses of the hydration process by TG and XRD studies show that the thermal stability of hydrated phases increases when x increases and that the incorporation of water is not a single-phase reaction inducing either a crystal system or space group modification. Fully hydrated (y = 2) and dehydrated (y = 0) samples have been stabilized at room temperature and characterized for all compositions. In wet air, all phases show a proton contribution to the total conductivity at temperatures between 350 and 600 °C. At a given temperature, proton conductivity increases with the substitution ratio and reaches at 350 °C, 5.4 10^− 3 S cm^− 1 for Ba₂(In_0.65Sc_0.35)₂O_4.2□_0.2(OH)_1.6.