A model of enhanced STM current due to semiconductor optical absorption

We present a simple model for the change in tunneling current between a semiconductor surface and a metal tip under spectroscopic illumination in a scanning tunneling microscope. This model predicts a sharp increase in the tunneling current due to the increase in the conduction band carrier density when the photon energy exceeds the optical band gap. The tunneling current for a large diffusion length has a more pronounced onset than for a small length. Our model should provide, when combined with experiments, a method of determining localized effective stoichiometry, and therefore provides a localized alternative to the use of optical absorption measurements. Our theoretical tunneling current versus photon energy curves are in good qualitative agreement with the existing experimentally measured curves for Si, GaAs, and InP obtained by Qian and Wessels. In addition, we have examined the effects of temperature, surface recombination velocity, and degeneracy on our theoretical results for the Hg_1−xCd_xTe, Hg_1−xZn_xTe, and Hg_1−xZn_xSe ternary narrow gap semiconductor systems.     

Theoretical investigations of the structural,electronic and optical properties of Hg1−xCdxTe alloys

The structural, electronic and optical properties of mercury cadmium telluride (Hg_1?xCd_xTe; x = 0.0, 0.25, 0.5, 0.75) alloys are studied using density functional theory within full-potential linearized augmented plane wave method. We used the local density approximation (LDA), generalized gradient approximation (GGA), hybrid potentials, the modified Becke–Johnson (LDA/GGA)-mjb and Hubbard-corrected functionals (GGA/LDA + U), for the exchange-correlation potential (E_ex). We found that LDA functional predicts better lattice constants than GGA functional, whereas, both functionals fail to predict the correct electronic structure. However, the hybrid functionals were more successful. For the case of HgTe binary alloy, the GGA + U functional predicted a semi-metallic behaviour with an inverted band gap of ?0.539 eV, which is closest to the experimental value (?0.30 eV). Ternary alloys, however, are found to be semiconductors with direct band gaps. For the x = 0.25 and 0.50, the best band gaps are found to be 0.39 and 0.81 eV using LDA-mbj functional, whereas, the GGA-mbj functional predicted the best band gap of 1.09 eV for Hg_0.25Cd_0.75Te alloy, which is in a very good agreement with the experimental value (1.061 eV). The optical properties of the alloys are obtained by calculating the dielectric function ?(ω). The peaks of the optical dielectric functions are consistent with the electronic gap energies of the alloys.     

The performance of Hg1−x Zn x Te photodiodes

This paper considers the Hg_1–x Zn _x Te alloy system as a potential material for the fabrication of infrared photodiodes. The influence of different junction current components (diffusion, tunneling and depletion layer currents) on the R ₀ A product of n⁺-pHg_1–x Zn _x Te photodiodes is analysed. The upper theoretical limits of the R ₀ A product and detectivity are determined. Results of calculations are compared with experimental data reported by other authors and those measured in our laboratory. Preliminary results on related technology and the properties of Hg_1–x Zn _x Te prepared by the ion-etching technique are presented.     

CdxHg(1−x)Te Alloy Colloidal Quantum Dots: Tuning Optical Properties from the Visible to Near‐Infrared by Ion Exchange

The energy gap between valence and conduction levels in colloidal semiconductor quantum dots can be tuned via the nanoparticle diameter when this is comparable to or less than the Bohr radius. In materials such as cadmium mercury telluride, which readily forms a single phase ternary alloy, this quantum confinement tuning can also be augmented by compositional tuning, which brings a further degree of freedom in the bandgap engineering. Here it is shown that compositional control of 2.3 nm diameter Cd_xHg_(1?x)Te nanocrystals by exchange of Hg²⁺ in place of Cd²⁺ ions can be used to tune their optical properties across a technologically useful range, from 500 nm to almost 1200 nm. Data on composition‐dependent changes in the optical properties are provided, including bandgap, extinction coefficient, emission energy and spectral shape, Stokes shift, quantum efficiency, and radiative lifetimes as the exchange process occurs, which are highly relevant for those seeking to use these technologically important QD materials.     

Far-infrared dielectric functions and phonon spectra of alloys determined by spectroscopic ellipsometry

We have used spectroscopic ellipsometry to determine the complex dielectric function of a series of ternary Be_xZn_1−xTe thin films grown by molecular beam epitaxy. The II–VI semiconductor alloys were grown on InP substrates that had an InGaAs buffer layer. After the growth, X-ray diffraction experiments were performed in order to determine the alloy concentration. A standard inversion technique was used to obtain the dielectric functions from the measured ellipsometric spectra, obtained between 2000 nm (5000 cm⁻¹) and 40,000 nm (250 cm⁻¹). By modelling the dielectric function as a collection of oscillators, representing longitudinal and transverse optical phonons of the Be_xZn_1−xTe lattice, we were able to recover the phonon spectra for this alloy system. It is argued that the additional phonon modes that are obtained from ellipsometry are best understood from the recently-proposed percolation model.     

First-principles study of the structural,electronic and optical properties of the cubic triangular quaternary ZnxCdyHg1-x-yTe alloys under hydrostatic pressure

In the present computational study, we have explored the structural, electronic and optical properties of ZnTe, CdTe and HgTe binary compounds and their ternary alloys Zn_xCd_1-xTe, Zn_xHg_1-xTe and Cd_xHg_1-xTe as well as their ordered quaternary Zn_xCd_yHg_1-x-yTe alloys using the full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory. We have numerically estimated the total energies, the lattice parameters, the bulk moduli and their first pressure derivative using the generalized gradient approximation (GGA). The band structure is computed using the modified Becke-Johnson (TB-mBJ) approximation. Results of our study show a nonlinear dependence of the composition on the lattice constant, bulk modulus and band gap for the binary and ternary compounds as well as for the quaternary alloys. Additionally, the dielectric function, the refractive index and the loss energy were also reported. The pressure effect on the band gap energy and optical properties were also investigated and reported. Our results are in good agreement with experimental values and theoretical data available in the literature.     

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.     

Optical properties of Cd1−xZnxTe thin films fabricated through sputtering of compound semiconductors

Cd_1−xZn_xTe thin film fabrication is necessary for its photovoltaic and imaging applications in large scale. Thermally annealed and thereby interdiffused r.f. sputtered multilayers comprising of CdTe and ZnTe have been utilized here for the fabrication of Cd_1−xZn_xTe thin films. Photoluminescence and change of resistance of the multilayer under illumination were studied using different annealing temperatures and varying number of repetitions. It was found that three number of repetitions annealed at 300 °C exhibited the best results.     

Magnetic-field-induced change in optical transmission spectra of Hg<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Cd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te epitaxial films

The optical transmission spectra of epitaxial Hg_{1 − x} Cd _x Te films with a gradient of the band gap have been studied experimentally. The possibility of transforming the spectra after exposure of the samples to a homogeneous magnetic field has been demonstrated. This effect is possibly caused by the dependence of the magnetization of the Hg_{1 − x} Cd _x Te films on the composition gradient of the solid solution.     

Electron–hole symmetry and spin–orbit splitting in IV–VI asymmetric quantum wells

It is shown that, due to the electron–hole symmetry of the fundamental gap of the lead–salts (PbTe, PbSe and PbS), the Rashba spin splitting in their flat band asymmetric quantum wells is much reduced with the usual equal conduction and valence band-offsets. Different from the III–V case, we find that the important structure inversion asymmetry for the Rashba splitting in IV–VI quantum wells with different left and right barriers is not a material property (i.e., barrier height, effective mass or band gap) but results from the band alignment. This is shown by specific envelope function calculations of the spin-dependent subband structure of Pb_1−xEu_xTe/PbTe/Pb_1−yEu_yTe asymmetric quantum wells (x≠y), based on a simple but accurate four-band kp model for the bulk band structure near the gap, which takes into account band anisotropy, nonparabolicity and multi-valley effects.     

Optical band gap and optical constants in a-Se80Te20−xPbx thin films

The optical constants (absorption coefficient, refractive index, extention coefficient, real and imaginary part of dielectric constant) have been studied for a-Se₈₀Te_20−xPb_x (where x = 0, 2, 6, 10) thin films as a function of photon energy in the wave length range (500–1000 nm). It has been found that the optical band gap increases while the refractive index and the extinction coefficient (k) decreases on incorporation of lead in Se–Te system. The value of absorption coefficient (α) and the extinction coefficient (k) increases, while the value of refractive index (n) decreases with incident photon energy. The results are interpreted in terms of the change in concentration of localized states due to the shift in fermi level.     

Dispersive optical constants of glassy AsSe1−xTex system

The compositional dependence of the optical constants, the refractive index n, and the absorption index k, of the AsSe_1−xTe_x thin films with 0<x<1.0 were determined in the spectral range of 400–2500 nm. The maximum value of the refractive index n, is shifted toward the long wavelength by increasing the Te content in the examined system. The values of the forbidden energy gap of the system have been determined and were correlated with the type and the amount of chemical bonds formed by the increasing Te content in the AsSe_1−xTe_x glassy system. The value of the dispersion energy E_d exhibits low value at the composition containing the same atomic percent of Se and Te.     

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.     

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.     

Synthesis and characterization of ZnxHg1?xSeyS1?y quantum dots

This article describes the synthesis of highly water-soluble Zn _x Hg_1−x Se _y S_1−y quantum dots (QDs) in aqueous solution through a simple photo-assisted reaction between ZnSe QDs and mercury(I) nitrate dihydrate [Hg₂(NO₃)₂·2H₂O]. In order to deduce the optimal synthesis conditions, we varied several parameters, including the concentrations of mercaptosuccinic acid (MSA) and Hg₂(NO₃)₂·2H₂O, the illumination time, and the reaction temperature. When irradiated at temperatures below 80 °C, the ZnSe QDs reacted with the S²⁻ ions formed rapidly from MSA and the Hg²⁺ ions formed from Hg₂ ²⁺ ions to form Zn _x Hg_1−x Se _y S_1−y QDs through a process of photo-etching and surface combination. Under different conditions, we prepared a series of Zn _x Hg_1−x Se _y S_1−y QDs that emit fluorescence at the maximum wavelengths ranging from 405 to 760 nm. Inductively coupled plasma-mass spectrometry and transmission electron microscopy/energy dispersive spectrometry revealed that the content of Hg in the Zn _x Hg_1−x Se _y S_1−y QDs was greater when the synthesis was conducted at higher temperature. The Zn_0.88Hg_0.12Se_0.44S_0.56 QDs exhibit improved photostability than crude ZnSe QDs and possess long lifetimes (τ₁ ~ 38 ns and τ₂ ~ 158 ns).     

Mechanism for Conversion of the Conductivity Type in Arsenic-Doped p-CdxHg1–xTe Subject to Ionic Etching

Based on an analysis of chemical diffusion of mercury in p-Cd _x Hg_1–x Te:As narrow-band solid solutions, a mechanism for conversion of the conductivity type upon ionic etching is suggested. It is shown that the n–p conversion of the conductivity in this case is due to the formation of a donor complex between arsenic in the Te sublattice and an interstitial Hg atom. Moreover, the electron concentration in the converted layer corresponds to the concentration of the implanted arsenic impurity. The theoretical results are confirmed by the experimental investigation of the electron concentration distribution over the n-layer of a p-Cd _x Hg_1–x Te:As epistructure converted upon ionic etching.     

Photo-electronic phenomena in narrow gap Hg1−xCdxTe

The photo-electronic properties of Hg_1−xCd_xTe grown by molecular beam epitaxy (MBE) or by liquid phase epitaxy (LPE) were investigated using Fourier transform transmission spectroscopy, Fourier transform photoluminescence measurements, spectroscopic ellipsometry (SE), as well as magneto-optics and magnetic-field-dependent Hall studies. The investigation was carried out from liquid helium to room temperatures in the infrared band up to 10 μm. Some important impurities and defects states, including As, Sb, Ag, Fe impurities and Hg vacancy as well as their complexes in Hg_1−xCd_xTe, were carefully studied. We obtained the energy levels of the impurity states and their optical, electric and magnetic behaviors. By SE measurement, a number of very useful parameters, such as the real and the imaginary part of dielectric constant, gap energies corresponding to important critical points, were extracted. Mobility spectra and multi-carrier fitting procedure were used to separate the contributions to the measured mobility from the light holes, heavy holes, and electrons. As a result, the sign change of transverse conductivity component with applied magnetic-field is explained according to multi-carrier process.Hg_1−xCd_xTe (MCT) is one of the most important infrared materials, which is subjected to intensive studies. Its optical and electrical properties are widely used for the fabrication of high performance photoconductive and photovoltaic detectors. Some of characteristics that directly affect device performance, such as impurities, defects, as well as the lifetime of the minority carriers, remain as the major concern. Recently, the quality of the MCT material grown by MBE and LPE has been improved and accurate control over the doping levels for several dopants have been realized [1], [2], [3]. Following the progresses made in material preparation and doping, we are able to study the material systematically.In this paper, we report the recent progress made on the investigation of the electrical and optical properties of both doped and undoped MCT in our laboratory using Fourier transform spectroscopy (FTIR), photoluminescence, magneto-photoconductivity, transport measurement, as well as SE.     

Photo- and electroluminescence of sulfide and silicate phosphors embedded in synthetic opal

The sulfide (ZnS:Mn, Zn_xCd_1−xS:Mn, Zn_xCd_1−xS:Ag) and silicate (Zn₂SiO₄:Mn) phosphors were synthesized directly inside the pores of synthetic opal by chemical bath deposition. These composites are perfect three-dimensional photonic crystals, which produce effective photo- and electroluminescence at room temperature. The emission spectra are considerably modified by the photonic crystal structure to become anisotropic in accordance with the photonic band gap angular dispersion.     

First-principles study of fundamental properties and electronic structure of alloys

We have performed first-principles calculations using full-potential augmented-plane-wave method to investigate the fundamental properties of the Cd_1–xZn_xTe alloys. The composition dependence of the lattice constant and the bulk modulus have been estimated from total energy calculations. By means of the analytical fitting the band structures in the vicinity of the Brillouin center a complete set of effective electron- and hole-masses have also been derived. In order to further understand the effects of the chemical bonding on the above macroscopic properties we then studied the relaxation behaviors and the changes of the electronic states upon alloying for x=0.25 system. The results presented here yield a general understanding of the fundamental properties for the Cd_1–xZn_xTe crystals studies.     

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.