Optical properties of the ternary compound Cd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Hg<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Se:Co

We present the results of experimental studies of the optical properties of cobalt-doped Cd _x H_1−x Se (x = 0.18) single crystals with cobalt ion concentrations of NCo = 5·10¹⁸, 5·10¹⁹, and 1·10²⁰ cm⁻³ at T = 90 K and 300 K. The composition (x = 0.18) of the Cd _x Hg_1−x Se solid solution was selected so that the hypothetical resonance level is found on the bottom of the conduction band. We show that the cobalt ions in the mercury selenide can form a resonance donor level only for cobalt concentrations N_Co < 5·10¹⁸ cm⁻³. For N_Co ∼ 5·10¹⁸ cm⁻³, the cobalt ions substitute for mercury atoms, forming a solid solution and leading to an increase in the bandgap width and a change in the physical properties. The solubility of cobalt in the HgSe lattice can be greater than 5%–10%. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 73–77, January–February, 2007.     

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.     

Multiband tight-binding theory of disordered A<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>B<Subscript>1-</Subscript><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C semiconductor quantum dots

Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a broad range of applications, as their spectrum and thus their excitation gap can be tailored by variation of their size. Additionally, nanocrystals of the type A _x B_{1- x} C can be realized by alloying of two pure compound semiconductor materials AC and BC, which allows for a continuous tuning of their absorption and emission spectrum with the concentration x. We use the single-particle energies and wave functions calculated from a multiband sp ³ empirical tight-binding model in combination with the configuration interaction scheme to calculate the optical properties of Cd _x Zn_{1- x} Se nanocrystals with a spherical shape. In contrast to common mean-field approaches like the virtual crystal approximation (VCA), we treat the disorder on a microscopic level by taking into account a finite number of realizations for each size and concentration. We then compare the results for the optical properties with recent experimental data and calculate the optical bowing coefficient for further sizes.     

Raman spectroscopy of very small Cd1−xCoxS quantum dots grown by a novel protocol: direct observation of acoustic‐optical phonon coupling

Glass‐embedded Cd_1−xCo_xS quantum dots (QDs) with mean radius of R ≈ 1.70 nm were successfully synthesized by a novel protocol on the basis of the melting‐nucleation synthesis route and herein investigated by several experimental techniques. Incorporation of Co²⁺ ions into the QD lattice was evidenced by X‐ray diffraction and magnetic force microscopy results. Optical absorption features with irregular spacing in the ligand field region confirmed that the majority of the incorporated Co²⁺ ions are under influence of a low‐symmetry crystal field located near to the Cd_1−xCo_xS QD surface. Electron paramagnetic resonance data confirmed the presence of Co²⁺ ions in a highly inhomogeneous crystal field environment identified at the interface between the hosting glass matrix (amorphous) and the crystalline QD. The acoustic‐optical phonon coupling in the Cd_1−xCo_xS QDs (x ≠ 0.000) was directly observed by Raman measurements, which have shown a high‐frequency shoulder of the longitudinal optical phonon peak. This effect is tuned by the size‐dependent sp‐d exchange interaction due to the magnetic doping, causing variations in the coupling between electrons and longitudinal optical phonon. Copyright © 2013 John Wiley & Sons, Ltd.     

Studies on the synthesis and characterization of Zn1− x Cd x S and Zn1− x Cd x S:Mn2+ semiconductor quantum dots

Quantum dots (3–4?nm) of Zn_{1? x} Cd _x S (both free of Mn²⁺ and with Mn²⁺ incorporated) were synthesized through a novel solvothermal-microwave irradiation technique. Detailed structural analysis of the Zn_{1? x} Cd _x S and Zn_{1? x} Cd _x S:Mn²⁺ (x?=?0, 0.25, 0.5, 0.75 and 1) materials was carried out using powder X-ray diffraction technique. For all the compositions, the crystallite size was controlled to less than 1.5?nm. The optical energy gap for Zn_{1? x} Cd _x S was found to vary from 3.878 to 2.519?eV and for Zn_1?x Cd _x S:Mn²⁺ it varies from 3.830 to 2.442?eV when x is increased from 0 to 1. Overall, the optical energy gap could be tuned from a minimum of 2.442?eV to a maximum of 3.878?eV. DC conductivity analysis (from 40°C to 150°C) and electrical energy gap analysis for all the compositions were also performed. The dc conductivity for Zn_{1? x} Cd _x S solid solutions varies from 0.3840?×?10^?10 to 8.7782?×?10^?10?mho/m at 150°C and for Zn_{1? x} Cd _x S:Mn²⁺ it varies from 0.5751?×?10^?10 to 9.8078?×?10^?10 mho /m at 150°C (for x?=?0 to x?=?1). The method of synthesis and the results observed in this investigation may assist in the fabrication of optical devices when the required operational performance falls under the range observed in the study.     

Quantum properties of two-dimensional electron gas in the inversion layer of Hg1−xCdxTe bicyrstals

The electronic and magnetotransport properties of conduction electrons in the grain boundary interface of p-type Hg_1−xCd_xTe bicrystals are investigated. The results clearly demonstrate the existence of a two-dimensional degenerate n-type inversion layer in the vicinity of the grain boundary. Hydrostatic pressure up to 10³ MPa is used to characterize the properties of the two-dimensional electron gas in the inversion layer. At atmospheric pressure three series of quantum oscillations are revealled, indicating that tthree electric subbands are occupied. From quantum oscilations of the magnetoresistivity the characteristics parameters of the electric subbands (subband populations n_si, subband energies E_F−E_i, effective electron masses m^*_ci) and their pressure dependences are established. A strong decrease of the carrier concentration in the inversion layer and of the corresponding subband population is observed when pressure is applied A simple theoretical model based on the triangular-well approximation and taking into account the pressure dependence of the energy band structure of Hg_1−xCd_xTe is use to calculate the energy band diagram of the quantum well and the pressure dependence of the subband parameters.     

Electro-Optic Coefficient Measurements for Zn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Cd<Subscript>1-<Emphasis Type="Italic">x</Emphasis></Subscript> Te Single Crystals at 1550 nm Wavelength

Nonlinear optical materials of the type Zn _x Cd_1-x Te single crystals, where x = 0.0, 0.2, 0.4, 0.6, 0.7, 0.8, and 1.0, have been grown by the Bridgman method, using a vertical furnace. We have investigated the electro-optic (E-O) coefficient and refractive index of Zn _x Cd_1-x Te single crystals at optical communication wavelength (1550 nm). In the case of CdTe crystal, the E-O coefficient was 15.5 × 10^-12 m/V, which is the biggest among the E-O coefficients of Zn _x Cd_1-x Te crystals. The E-O modulation signal was very big in low frequency range (DC-100kHz), but the signal amplitude became smaller as we increased frequency above 100 kHz. We also found the acousto-optic modulation at CdTe single crystals.     

Electronic and optical properties of CdS/CdZnS nanocrystals

Cd1-x ZnxS nanocrystals are prepared by a co-precipitation method with different atomic fractions of Zn.The texture,structural transformation and optical properties with increasing x value in Cd1-x ZnxS are studied with scanning electron microscopy,electron diffraction patterning,and absorption spectra respectively.Quantum confinement in a strained CdS/Cd1-xZnxS related nanodot with various Zn content values is investigated theoretically.Binding energies on exciton bound CdS/CdxZn1-xS quantum dot are computed,with consideration of the internal electric field induced by the spontaneous and piezoelectric polarizations,and thereby the interband emission energy is calculated as a function of the dot radius.The optical band gap from the UV absorption spectrum is compared with the interband emission energy computed theoretically.Our results show that the average diameter of composite nanoparticles ranges from 3 nm to 6 nm.The X-ray diffraction pattern shows that all the peaks shift towards the higher diffracting angles with an increase in Zn content.The lattice constant gradually decreases as the Zn content increases.The strong absorption edge shifts towards the lower wavelength region and hence the band gap of the films increases as the Zn content increases.The values of the absorption edge are found to shift towards the shorter wave length region and hence the direct band gap energy varies from 2.5 eV for the CdS film and 3.5 eV for the ZnS film.Our numerical results are in good agreement with the experimental results.     

Structural,electrical and optical properties of Cd1−xZnxO thin films and alloying effects on Kβ/Kα intensity ratios

Cd_1?xZn_xO thin films were prepared by spray pyrolysis in air atmosphere on a glass substrate at 250 °C. The Zn content in Cd_1?xZn_xO films was varied from x = 0 to 0.60. Structural, electrical and optical properties of Cd_1?xZn_xO films were investigated by x‐ray diffraction, electrical resistivity and optical transmittance spectra, respectively. As the Zn content in Cd_1?xZn_xO thin films increased, the preferred orientation of the films did not change, only the peak intensity of the planes decreased. In addition to the peaks of CdO, peaks of ZnO were observed in the film with x = 0.6. The resistivity of Cd_1?xZn_xO thin films increased with increasing Zn content. Transmittance spectra studies of films were carried out in the 190‐1100 nm wavelength range and the results showed that the bandgap energy range varied from 2.42 to 3.25 eV. In addition, alloying effect on the Kβ/Kα intensity ratio in Cd_1?xZn_xO semiconductor thin films was studied. It was found that the Kβ/Kα intensity ratio is changed by alloying effects in Cd_1?xZn_xO semiconductor thin films for different composition of x. The results were compared with the theoretical values. Copyright © 2006 John Wiley & Sons, Ltd.     

Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs

We use a modified Becke-Johnson exchange plus a local density approximation correlation potential within the density functional theory to investigate the electronic structures of Hg_1-xCd_xTe and In_1-xGa_xAs with x being 0, 0.25, 0.5, 0.75, and 1. For both of the two series, our calculated energy gaps and dielectric functions (real part ε₁ and imaginary part ε₂) are in agreement with the corresponding experimental results with x being between 0 and 1. The calculated zero-frequency refractive index varies greatly with x for Hg_1-xCd_xTe, but changes little with x for In_1-xGa_xAs, which is consistent with the real parts of their dielectric functions. Therefore, this new approach is satisfactory to describe the electronic structures and the optical properties of the semiconductors.     

Effect of cadmium addition on the optical constants of thermally evaporated amorphous Se–S–Cd thin films

Se₇₅S_25−xCd_x is a promising ternary material, which has received considerable attention due to its applications in the fabrication of various solid state devices. These have distinct advantages, large packing density, mass replication, fast data rate, high signal-to-noise ratio and high immunity to defects. Measurements of optical constants (absorption coefficient, refractive index, extinction coefficient, real and imaginary part of the dielectric constant) have been made on Se₇₅S_25−xCd_x (where x = 0, 2, 4, 6 and 8) thin films of thickness 3000 Å as a function of photon energy in the wave length range 400–1000 nm. It has been found that the optical band gap and extinction coefficient increases while the value refractive index decreases on incorporation of cadmium in Se–S system. The results are interpreted in terms of the change in concentration of localized states due to the shift in Fermi level. Due to the large absorption coefficient and compositional dependence of reflectance, these materials may be suitable for optical disk material.     

Study of the third order nonlinear optical properties of Zn<Subscript>1−x</Subscript>Mg<Subscript>x</Subscript>Se and Cd<Subscript>1−x</Subscript>Mg<Subscript>x</Subscript>Se crystals

Third order nonlinear optical susceptibilities χ^<3> of ternary Zn_1−xMg_xSe and Cd_1−xMg_xSe crystals have been measured using standard degenerate four-wave mixing (DFWM) method at 532 nm. The nonlinear transmission technique has been applied to check if our crystals exhibit two-photon absorption. The studied Zn_1−xMg_xSe and Cd_1−xMg_xSe solid solutions were grown from the melt by the modified high-pressure Bridgman method. For both crystals the energy gap increases with increasing Mg content. In the case of Zn_1−xMg_xSe, it was found that the value of third order nonlinear optical susceptibility χ^<3> decreases with increasing Mg content. An explanation of this behaviour results from the dependence of optical nonlinearities on the energy band gap E_g of the studied crystals. In the case of Cd_1txMg_xSe with low content of Mg, no response was observed for the studied wavelength since the energy gap in such crystals is smaller than the photon energy of the used laser radiation. It was also found that the value of third order nonlinear optical susceptibility χ^<3> for Cd_0.70Mg_0.30Se is higher than for Zn_0.67Mg_0.33Se. This behaviour can be understood if one take into consideration that the free carrier concentration in Cd_1−xMg_xSe samples is about four orders of magnitude higher than that in Zn_1txMg_xSe ones with comparable Mg content respectively. It is commonly known that when the electric conductivity increases, the values of nonlinear optical properties increase. From the performed measurements one can conclude that the incorporation of Mg as constituent into ZnSe and CdSe crystals leads to a change of the third order nonlinear optical susceptibilities.     

Modeling of the energy spectrum of the CdTe/Hg1-xCdxTe/CdTe quantum well by varying the band offset, well width, and composition x

Currently, CdTe/Cd _x Hg_1-x Te/CdTe heterostructures attract particular interest and are very promising for developing the next-generation terahertz radiation detectors. However, properties of such structures have not yet been studied in sufficient detail. The energy spectrum and wave functions of the CdTe/Cd _x Hg_1-x Te/CdTe heterostructure were theoretically modeled for various well widths, the valence band offset, and composition x in the range 0<x<0.16. Characteristic features of the behavior of energy levels of two-dimensional electrons in such structures were studied with respect to x variation. A criterion for determining the number of electronic levels below the conduction band bottom, applicable to compositions 0<x<0.16 was obtained. The time of two-dimensional electron relaxation by longitudinal optical phonons was calculated.     

Scanning tunneling optical spectroscopy in mercury cadmium telluride and related compounds

We consider II–VI narrow gap semiconducting alloys: mercury cadmium telluride, Hg_(1−x)Cd_(x)Te (MCT), mercury zinc telluride, Hg_(1−x)Zn_(x)Te (MZT), and mercury zinc selenide, Hg_(1−x)Zn_(x)Se (MZS). MCT is emphasized for actual calculations, but a table of values needed in all calculations is presented. These materials are of interest because of their application to infrared detectors and related devices, and because they are candidates for low gravity crystal growth to improve uniformity. We present new calculations of the scanning tunneling optical spectroscopy (STOS) current from which the local energy gap, a function of x, and hence the stoichiometry (x) can be determined as a function of position with presumably high spatial resolution. The low temperature tunneling current (vs. photon frequency) has a sharper onset at the band gap than the low temperature optical absorption. This sharp onset originates from the rapid increase in the integrated transmission probabilities and is greatly enhanced by large diffusion lengths. Thus, STOS should be a competitive technique, compared to optical absorption, for determining the local stoichiometry, a property that is important for characterizing crystals.     

纤锌矿BeO掺Cd的电子结构与能带特性研究

采用基于密度泛函理论平面波赝势方法, 对纤锌矿BeO掺Cd的Be_1-xCd_xO合金进行电子结构与能带特性研究. 结果表明: Be_1-xCd_xO的价带顶始终由O 2p电子态决定, 而导带底由Be 2s和Cd 5s的电子态决定.随着Be_1-xCd_xO合金的Cd掺杂量增加, Cd 4d与O 2p的排斥效应逐渐加强, 同时Be_1-xCd_xO的带隙逐渐变小, 出现"直接-间接-直接"的带隙转变. 为了使理论值与实验值相一致, 对Be_1-xCd_xO带隙进行修正, 并分析了纤锌矿BeO-ZnO-CdO三元合金的带隙和弯曲系数与晶格常数的关系.     

Effects of in situ thermal annealing on the structural, optical, and electrical properties in Hg0.7Cd0.3Te epilayers grown on CdTe buffer layers

Scanning electron microscopy (SEM), Fourier transform infrared (FTIR) transmission, and Hall effect measurements were performed to investigate the structural, optical, and electrical properties of as-grown and in situ-annealed Hg_0.7Cd_0.3Te epilayers grown on CdTe buffer layers by using molecular beam epitaxy. After the Hg_0.7Cd_0.3Te epilayers had been annealed in a Hg-cell flux atmosphere, the SEM images showed that the surface morphologies of the Hg_0.7Cd_0.3Te thin films were mirror-like with no indication of pinholes or defects, and the FTIR spectra showed that the transmission intensities had increased in comparison to that of the as-grown Hg_0.7Cd_0.3Te epilayer. Hall-effect measurements showed that n-Hg_0.7Cd_0.3Te epilayers were converted to p-Hg_0.7Cd_0.3Te epilayers. These results indicate that the surface, optical, and electrical properties of the Hg_1 − xCd_xTe epilayers are improved by annealing and that as-grown n-Hg_1 − xCd_xTe epilayers can be converted to p-Hg_1 − xCd_xTe epilayers by in situ annealing.     

Efficient Quantum Dot Light-Emitting Diodes Based on Well-Type Thick-Shell CdxZn1−xS/CdSe/CdyZn1−yS Quantum Dots

Device grade quantum dots (QDs) require QDs ensembles to retain their original superior optical properties as in solution. QDs with thick shells are proven effective in suppressing the inter-dot interaction and preserving the emission properties for QDs solids. However, lattice strain–induced defects may form as the shell grows thicker, resulting in a notable photoluminescence quenching. Herein, a well-type Cd_xZn_1−xS/CdSe/Cd_yZn_1−yS QDs is proposed, where ternary alloys CdZnS are adopted to match the lattice parameter of intermediate CdSe by separately adjusting the x and y parameters. The resultant thick-shell Cd_0.5Zn_0.5S/CdSe/Cd_0.73Zn_0.27S QDs reveal nonblinking properties with a high PL QY of 99% in solution and 87% in film. The optimized quantum dot light-emitting diodes (QLEDs) exhibit a luminance of 31547.5 cd m⁻² at the external quantum efficiency maximum of 21.2% under a bias of 4.0 V. The shell thickness shows great impact on the degradation of the devices. The T₅₀ lifetime of the QLEDs with 11.2 nm QDs reaches 251 493 h, which is much higher than that of 6.5 and 8.4 nm QDs counterparts. The performances of the well-type thick-shell QLEDs are comparable to state-of-the-art devices, suggesting that this type of QDs is a promising candidate for efficient optoelectronic devices.     

Effects of increasing number of rings on the ion sensing ability of CdSe quantum dots: a theoretical study

A computational study on the structural and electronic properties of a special class of artificial atoms, known as quantum dots, has been carried out. These are semiconductors with unique optical and electronic properties and have been widely used in various applications, such as bio-sensing, bio-imaging, and so on. We have considered quantum dots belonging to II–VI types of semiconductors, due to their wide band gap, possession of large exciton binding energies and unique optical and electronic properties. We have studied their applications as chemical ion sensors by beginning with the study of the ion sensing ability of (CdSe) _n (n?=?3, 6, 9 which are in the size range of ~?0.24, 0.49, 0.74 nm, respectively) quantum dots for cations of the zinc triad, namely Zn²⁺, Cd²⁺, Hg²⁺, and various anions of biological and environmental importance, and studied the effect of increasing number of rings on their ion sensing ability. The various structural, electronic, and optical properties, their interaction energies, and charge transfer on interaction with metal ions and anions have been calculated and reported. Our studies indicate that the CdSe quantum dots can be employed as sensors for both divalent cations and anions, but they can sense cations better than anions.     

Single-Lo-phonon and -plasmon recombination channels at narrow-bandgaps

Single phonon and plasmon recombination transitions have been observed in different Hg_1-xCd_xTe semi-metallic alloys. The recombination channels were switched on when energy resonance was magnetically adjusted between the effective bandgap and these elementary excitations. From experimental results of the magnetic field-dependent photoconductivity it can be concluded that these recombination mechanisms are very efficient and dominate the recombination behaviour near their resonance with the bandgap. The new recombination channels play an important role in narrow-gap material far-infrared devices.     

Optical and vibrational properties of CdxHg1-x-y ZnyTe solid solutions

The lattice dynamics of Cd_xHg_1-x-y Zn_yTe solid solutions is studied theoretically and experimentally. The frequencies of the basic optical phonons of Cd_xHg_1-x-y Zn_yTe are calculated in terms of a modified random-element isodisplacement model. As a result, all basic vibrations of the crystal lattice that substantially affect the optical properties of this material in the spectral region corresponding to one-phonon resonance are identified. The optical properties of epitaxial Cd_xHg_1-x-y Zn_yTe layers grown by liquid-phase epitaxy on Cd_1-x Zn_xTe substrates are studied. The calculated and experimental spectral dependences of the dielectric function of Cd_xHg_1-x-y Zn_yTe solid solutions of various compositions are compared at 295 and 78 K, and good agreement between them is reached. The additional lattice vibrations whose frequencies in the phonon density of states are lower than that of the HgTe mode are shown to be caused by the lattice defects of the Cd_xHg_1-x-y Zn_yTe solid solutions.