Differences between surface and bulk refractive indices of a-InxSe1−x

Thin films of amorphous indium selenide compounds (a-In_xSe_1−x) are important, e.g. for photovoltaics. The feature of merit in such applications is also the real part of refractive index n of this material. The data on n in literature are divergent. In this paper, the results of investigations on n in the bulk as well as in the interface layers of thin films of a-In_xSe_1−x are presented. The measurements had been performed using optical transmittance and reflectance in spectral range from 1.24 to 1.96 eV of linear polarized radiation that hit the samples with angles of incidence from 0° to 80°. Investigations had been done for sample temperatures from 80 to 340 K. It was found that the refractive index for areas at the free surface n_f is bigger than the refractive index n_b at the interface of thin film-substrate. The averaged over thin film thickness value of real part refractive index have the biggest value in all spectral range. Values of these coefficients increase with increasing the temperature.     

Refractive index and dielectric constants of GaxIn1−xP: Disorder effect

A pseudopotential scheme, which incorporates compositional disorder as an effective potential, is used so as to calculate the optical properties of Ga_xIn_1−xP ternary alloys in the zinc-blende structure. Generally, the agreement between our results and the existing data in the literature is reasonable. The composition dependence of the studied features showed a non-monotonic behaviour for most studied features. Reasons for these findings are discussed. Moreover, the effect of the compositional disorder on the features of interest has been examined and found to be important for the calculation of optical properties of Ga_xIn_1−xP.     

Structural, optical properties and band gap alignments of ZrOxNy thin films on Si (1 0 0) by radio frequency sputtering at different deposition temperatures

ZrO_xN_y thin films have been prepared by radio frequency magnetron sputtering at various substrate temperatures. The effect of substrate temperature on structural, optical properties and energy-band alignments of as-deposited ZrO_xN_y thin films are investigated. Atomic force microscopy results indicate the decreased root-mean-square (rms) values with substrate temperature. Fourier transform infrared spectroscopy spectra indicate that an interfacial layer has been formed between Si substrate and ZrO_xN_y thin films during deposition. X-ray photoelectron spectroscopy and spectroscopy ellipsometry (SE) results indicate the increased nitrogen incorporation in ZrO_xN_y thin films and therefore, the decreased optical band gap (E_g) values as a result of the increased valence-band maximum and lowered conduction-band minimum.     

Properties of optical phonons in Zn1−x−yMgyBexSe quaternary mixed crystal

Long wavelength optical lattice vibration and dielectric constants of the quaternary mixed crystal Zn_1−x−yMg_yBe_xSe are investigated based on the pseudo-unit-cell mode and Born-Huang procedure. It is found that this material shows a three-mode behavior and the oscillator strength of each mode is mainly controlled by only one component. The theoretical results also show that the linear interpretation method for dielectric constants is reliable. The vibrational frequencies and the oscillator strengths of the ternary mixed crystals Be_xZn_1−xSe, Be_xMg_1−xSe and Mg_xZn_1−xSe are also calculated as special cases of the quaternary mixed crystal for comparing with experiments. The calculation shows agreement with the experimental results.     

Deep level transient spectroscopy in Hg1−xCdxTe

We report the application of Deep Level Transient Spectroscopy (DLTS) in Hg_1-xCd_xTe, demonstrating for the first time the utilization of DLTS techniques in a narrow band-gap semiconductor, E_g < 0.40 eV. DLTS measurements performed on an n⁺-p diode with E_g (x=0.21, T=30 K) =0.096 eV have identified an electron trap with an energy of E_v + 0.043 eV and a hole trap at E_v + 0.035 eV. Measurements of trap densities, capture cross sections, and the close proximity of the electron and hole trap locations within the band-gap suggest that DLTS may be observing both the electron and hole capture at a single Shockley-Read recombination center. The trapping parameters measured by DLTS predict minority carrier lifetime versus temperature data to be comparable with the experimentally measured values.     

Electrical and optical properties of GexFexSe100−2x chalcogenide thin films

Optical absorption at room temperature and electrical conductivity at temperatures between 283 and 333 K of vacuum evaporated Ge_xFe_xSe_100−2x (0≤x≤15) amorphous thin films have been studied as a function of composition and film thickness. It was found that the optical absorption is due to indirect transition and the energy gap increases with increasing both Ge and Fe content; on the other hand, the width of the band tail exhibits the opposite behavior. The optical band gap E_opt was found to be almost thickness independent. The electrical conductivity show two types of conduction, at higher temperature the conduction is due to extended states, while the conduction at low temperature is due to variable range hopping in the localized states near Fermi level. Increasing Ge and Fe contents were found to decrease the localized state density N(E_F), electrical conductivity and increase the activation energy for conduction, which is nearly thickness independent. Variation of the atomic densities ρ, molar volume V, glass transition temperature T_g cohesive energy C.E and number of constraints N_Co with average coordination number Z was investigated. The relationship between the optical gap and chemical composition is discussed in terms of the cohesive energy C.E, average heat of atomization and coordination numbers.     

Characterization of HfOxNy gate dielectrics using a hafnium oxide as target

Hafnium oxynitride (HfO_xN_y) gate dielectric has been deposited on Si (1 0 0) by means of radio frequency (rf) reactive sputtering using directly a HfO₂ target in N₂/Ar ambient. The thermal stability and microstructural characteristics for the HfO_xN_y films have been investigated. XPS results confirmed that nitrogen was successfully incorporated into the HfO₂ films. XRD analyses showed that the HfO_xN_y films remain amorphous after 800 °C annealing in N₂ ambient. Meanwhile the HfO_xN_y films can also effectively suppress oxygen diffusion during high temperature annealing and prevent interface layer from forming between HfO_xN_y films and Si substrates. AFM measurements demonstrated that surface roughness of the HfO_xN_y films increase slightly as compared to those pure HfO₂ films after post deposition annealing. By virtue of building reasonable model structure, the optical properties of the HfO_xN_y films have been discussed in detail.     

Principal energy band gaps of the quaternary alloy AlxGa1−xSbyAs1−y

The correlated function expansion (CFE) interpolation procedure was presented to efficiently estimate principal energy band gaps and lattice constants of the quaternary alloy Al_xGa_1−xSb_yAs_1−y over the entire composition variable space. The lattice matching conditions between x and y for the alloy Al_xGa_1−xSb_yAs_1−y substrated to InAs and GaSb were obtained by optimizing the alloy lattice constant to that of the substrates. The corresponding principal band gaps (E(Γ), E(L), and E(X)) were also calculated along the lattice matching condition on each substrate (InAs and GaSb).     

Electronic structure of GaAs1−xNx under pressure

The electronic band structures of GaAs_1−xN_x for x=0.009, 0.016, 0.031 and 0.062 are calculated ab initio using a supercell approach in connection with the full-potential linear muffin-tin orbital method. Corrections for the ‘LDA gap errors’ are made by adding external potentials which are adjusted to yield correct gaps in pure GaAs. Even small amounts of nitrogen modify significantly the conduction bands, which become strongly non-parabolic. The effective mass in the lowest conduction band thus exhibits strong k-vector dependence. Calculated variations of gaps and effective masses with x and externally applied pressure are presented and compared to a variety of experimental data. There are significant error bars on our results due to the use of the supercell approach. These are estimated by examining the effects of varying the geometrical arrangement of the N-atoms substituting As. However, the calculations show that the electron mass for x>0.009 is much larger than that of pure GaAs, and that it decreases with x.     

Effect of composition and thermal annealing on the absorption and electrical conduction of Se85−xTe15Sbx glasses

The optical absorption of the as-prepared and thermally annealed Se_85−xTe₁₅Sb_x (0≤x≤9) thin films was measured. The mechanism of the optical absorption follows the rule of non-direct transition. The optical energy gap (E₀) decreased from 1.12 to 0.84 eV with increasing Sb content of the as-prepared films from 0 to 9 at.%. The as-prepared Se₇₆Te₁₅Sb₉ films showed an increase in (E₀) with increasing the temperature of annealing in the range above T_g (363 K). The electrical conductivity of the as-prepared and annealed films was found to be of Arrhenius type with temperature in the range 300-360 K. The activation energy for conduction was found to decrease with increasing both the Sb content and temperature of annealing. The results were discussed on the basis of the lone-pair electron effect and of amorphous crystalline transformation.     

Observation of new critical point in InxAl1−xAs alloy using spectroscopic ellipsometry

Using a spectroscopic ellipsometry, pseudodielectric functions 〈?〉 of In_xAl_1−xAs ternary alloy films (x = 0.43, 0.62, 0.75, and 1.00) from 0.74 to 6.48 eV were determined. Fast in-situ chemical etching to effectively remove surface overlayers using charge-coupled device detector and to avoid the reoxidation of the surface of films prior to the ellipsometric spectrum measurement was performed. At the high energy region, an additional critical point structure which is interpreted as the E′₁ transition from the band structure calculation of the linear augmented Slater-type orbital method was reported.     

The dependence of the structural and optical properties on the Te mole fraction in ZnS1−xTex/GaAs heterostructures

Lattice-mismatched ZnS_1−xTe_x epilayers with various Te mole fractions on GaAs (100) substrates were grown by double well temperature gradient vapor deposition. X-ray diffraction patterns showed that the grown ZnS_1−xTe_x layers were epitaxial films. The photoluminescence spectra showed that the peak position of the acceptor-bound exciton (A⁰, X) varied dramatically with changing the Te mole fraction and that the behavior of the (A⁰, X) peak position of the ZnS_1−xTe_x epilayers with a small amount of the Te mole fraction was attributed to a bowing effect. The reflectivity and ellipsometry spectra showed that the absorption energy peak was significantly affected due to the Stoke's effect. These results provide important information on the structural and optical properties of ZnS_1−xTe_x/GaAs heterostructures for improving optoelectronic device efficiencies operating in the spectral range between near ultraviolet and visible regions.     

The thermoelectric power in AgxTiS2 and AgxNiPS3. Part II. The ionic component of the thermoelectric power

The EMF of the isothermal cells: Ag/AgI/Ag_xTiS₂: 0<x<1, T=150–200°C/Ag_xNiPS₃: 0<x<3, T=150–350°C has been measured. From the EMF-x curves the existence ranges of the 2-phase (stage I and II) regions ?0.16<x<0.32 for the Ag/Ag_xTiS₂ system at 190°C; 0.20 < x < 0.50 and 1 < x < 2 for the Ag/Ag_xNiPS₃ system at 400°C - have been determined. The results are sustained by X-ray diffraction and electrical conductivity measurements. From the EMF-T curves the partial enthalpy (ΔH?_Ag) and entropy (ΔS?_Ag) of dissolution of silver in the Ag_xSSE (solid solution electrode) materials were obtained. In the case of Ag_xTiS₂, ΔH?_Ag has a low absolute value, while ΔS?_Ag is distinctly positive. The EMF of the Ag/Ag_xNiPS₃ system also has a positive temperature coefficient. Furthermore, the ionic component of the thermoelectric power, ΔE/ΔT, of the thermogalvanic cells: Ag/AgI/Ag_xSSE/AgI/Ag Ag_xTiS₂: 0 < x < 1, T = 150–200°C( T ) (T+ΔT) Ag_xNiPS₃: 0 < x < 1, T= 150–350°C has been measured. The kinetically important heat of transport of silver ions in the Ag_xSSE materials has been determined in two ways: first from the dependence of the ionic Seebeck coefficient (?_Ag+) on reciprocal temperature; and second from direct calculation, using the data for ?_Ag+ and ΔS?_Ag. The heat of transport is much smaller than the activation enthalpy for Ag⁺-conduction, indicating a high ionic polaron binding energy in these materials.     

The study of optical parameters and DC conductivity of Se100−xHgx thin films

Se_100−xHg_x bulk samples have been prepared by conventional melt quenching technique. The thin films of the material have been prepared on glass substrate using the thermal evaporation technique. The transmission spectra has been studied to measure the optical constants like absorption coefficient (α), extinction coefficient (K), optical band gap (E_g), Urbach energy (E_e). The DC conductivity (σ_dc) of Se_100−xHg_x has been also studied to find the activation energy (ΔE_a)$(\mathrm{\Delta }{E}_a)$. The optical band gap increases and Urbach energy first increases then decreases with increase in Hg concentration. DC conductivity and activation energy increases with increase in Hg concentration. These materials are found suitable for the optical disk materials and in optoelectronic devices due to their high absorption coefficient and dependence of reflectance on composition.     

Preparation of (CdO)1−x(PbO)x and (CdS)1−x(PbS)x thin films by spray pyrolysis technique and their characterization

Mixed thin films of (CdO)_1−x(PbO)_x and (CdS)_1−x(PbS)_x (x=0.25) were prepared on glass substrates by spray pyrolysis technique for various substrate temperatures 300, 320 and 340 °C. Structural and optical properties were studied. XRD studies reveal the formation of mixed films. The substrate temperature of 340 °C seems to be critical for the formation of CdO-PbO mixed films. It is observed that (CdS)_1−x(PbS)_x mixed films were formed at all the three substrate temperatures. The direct band gap value of (CdO)_1−x(PbO)_x and (CdS)_1−x(PbS)_x mixed films is about 2.6 and 2.37 eV, respectively.     

Ge1-xCx double-layer antireflection and protection coatings

The antireflection Germanium carbide (Ge_1-xC_x) coating, deposited using RF reactive sputtering, on both sides of ZnS substrate wafer has been developed. The infrared (IR) transmittance spectra show that the IR transmittance in the wavelength region between 8 and 12 μm for the designed system Ge_1-xC_x/ZnS/Ge_1-xC_x is greatly enhanced compared to that for ZnS substrate. In addition, the double-layer coated ZnS substrate is approximately four times as hard as uncoated ZnS substrate. This investigation indicates that a double-layer Ge_1-xC_x coating can be used as an effective antireflection and protection coating on ZnS infrared window.     

Structural relaxation and rigidity transition in aged and rejuvenated AsxSe100−x glasses

Differential scanning calorimetry (DSC) measurements were performed to investigate the kinetics of the structural relaxation in aged and unaged (rejuvenated) As_xSe_100−x glasses with 0≤x≤40. The activation energy of the glass transition (E_a) of the aged and rejuvenated glasses was determined from the variation of the glass transition temperature (T_g) with the heating rates (β). Significant effect of prolonged aging of the glasses on the values E_a was observed. Evidence of transition from floppy to rigid phase is presented. The observed significant physical aging in samples with composition x<40 indicates the absence of the intermediate phase. The compositional dependence of T_g for aged and rejuvenated data was analyzed using the stochastic agglomeration theory.     

Crystallization kinetics of a-Ga5Se95−xSbx

The kinetics studies of a-Ga₅Se_95−xSb_x (x=0, 1, 5, 10) is analyzed by an isothermal and non-isothermal technique. By isothermal technique the analysis of crystallization kinetics is taken at temperatures between the glass transition and crystallization. The activation energy of crystallization (ΔE_c) and order parameter (n) are calculated by fitting the values of extent of crystallization (α) in the Avrami's equation. By non-isothermal technique crystallization kinetics of a-Ga₅Se_95−xSb_x (x=0, 1, 5, 10) with different heating rates of 5, 10, 15 and 20 K/min have been studied by using the Differential Scanning Calorimeter (D.S.C.). The glass transition temperature, crystallization temperature at different heating rates and structural change during glass transition has been determined from an empirical relation. From the heating rate, the dependence of the glass transition and crystallization temperatures, the activation energy for structural relation (Δe_t), the activation energy of crystallization (ΔE_c), and the order parameter (n) are calculated.     

Tight-binding calculation of the optical conductivity in NaxCoO2

Optical conductivity in Na_xCoO₂ is calculated with tight binding approximation. The calculated gross features agree with the experimental findings. Interband transitions between nearly degenerate t_2g bands bring about absorption in the mid-infrared and near infrared regions. Structures observed at higher energies are also quite well reproduced with the present calculation. Possible effects of electron correlation are also briefly discussed.     

Assessment of electronic properties of InNxSb1−x for long-wavelength infrared detector applications

This work assesses theoretically the potential of dilute nitride alloys of InN_xSb_1−x for long-wavelength IR applications. A 10-band k.p approximation modified to account for conduction/valence band coupling is implemented to extract the bandgap as a function of the nitrogen concentration in the alloy and the temperature. The calculations show the possibility to obtain a band closure at ∼2% of nitrogen for InSbN at 300 K. The absorption coefficient, and its temperature dependence, is then determined using an Elliot-like formalism, predicting stronger absorption properties associated with the enhancement of conduction band effective masses. This enhancement yields over an order of magnitude increase in the non-radiative Auger recombination lifetimes suggesting the potential of InNSb for significantly enhancing detectivity limits and operation temperatures of long-wavelength IR detectors.