Electronic and optical properties of ZnS x Se1−x alloys

A series of calculations from first principles have been carried out to study structural, electronic, and optical properties of ZnS_xSe_1−x alloys. Our results show that the lattice constant scales linearly with sulfur composition. The imaginary parts of the dielectric function are calculated, which are in good agreement with the experimental data. We have also interpreted the origin of the spectral peaks on the basis of band structure and density of states. Additionally, we find that no bowing effect in the absorption edge is observed, unlike other II-VI semiconductor alloys.      

Negatron effects in CdSe1 − x Te x and ZnS1−x Se x films

Various negatron effects in films of alloys of II–VI compounds deposited from solutions as a function of the deposition mode and heat treatment are studied. It is found that the negative photocapacitance effect, which was first discovered in ZnS_1?x Se _x films, and the slowly relaxing negative photoelectric effects, which are caused by the transition of electrons located in a nanoscale surface layer from the shallow energy levels of trapping centers to deeper levels with a lower polarizability and by the presence of nanoscale clusters in these materials, which play the role of a “reservoir” for minority charge carriers, occur according to a single mechanism. A model to explain the basic laws of negative photoconductivity in CdSe_{1 ? x} Te _x films deposited from a solution is proposed. Negative residual conductivity is explained in terms of double-barrier relief model, while negative differential photoconductivity is attributed to the presence of nanoscale electric domains.     

Structural deformations of the cubic lattice of the Zn1 ? x Fe x Se (x = 0.001) crystal

The structural state of a Zn_{1 ? x} Fe _x Se (x = 0.001) crystal has been studied using thermal neutron diffraction. The diffraction patterns of the cubic crystal have been found to contain diffuse scattering regions concentrated in the vicinity of the strong Bragg reflections. It has been shown that the diffuse scattering effects are due to local transverse displacements of the crystal lattice atoms, and these displacements are induced by iron ions that demonstrate the static Jahn-Teller effect of the tetragonal type in the ZnSe compound.     

Optical properties of ternary ZnS x Se1−x polycrystalline thin films

Ternary ZnS_xSe_1–x polycrystalline thin films were prepared by evaporation in vacuum of 10^–5 Torr. The molecular fractionx varied in the region ox1. The optical constants (the refractive indexn, the absorption indexk, and the absorption coefficient) were determined in the wavelength range 300–1600nm. A plot representing ₂=f(hv) shows that the ZnS_xSe_1–x polycrystalline thin films of different compositions have two direct transitions corresponding to the energy gapsE andE+. The variation in eitherE orE+ withx indicates that this system belongs to the amalgamation type. Such variation follows a quadratic equation. The bowing parameter was found to be 0.456 eV, roughly equal to the calculated value 0.60 eV using the empirical pseudopotential method based on the virtual-crystal approximation, in which the disorder effect has not been taken into account.     

Optical Properties of High Pressure Phases in ZnTe 1− x Se x

We report on the optical properties of high pressure semiconducting phases in ZnTe 1 m x Se x . In the Te rich side, the cinnabar phase is observed in the upstroke between typically 9.5 and 12.5 GPa with a pressure interval of existence that decreases with increasing the Se content. In most studied samples, the indirect absorption edge could be determined, with values of the bandgap increasing with the Se content and ranging from 1.2 to 1.7 eV. In the downstroke, the cinnabar phase is observed in the whole composition range but its bandgap can not be unambiguously determined in the Se-rich side, as it coexists with rocksalt or zincblende phases. The indirect semiconducting rocksalt phase is observed in the Se-rich side, with an indirect bandgap of the order of 0.7 eV. Within the experimental errors, the bandgaps of both the cinnabar and NaCl phases are pressure insensitive, in agreement with first-principles pseudopotential band structure calculations, that predict very low pressure coefficients for both indirect transitions.     

Effect of pressure on electrical properties of SnS x Se1−x single crystals

The single crystals of tin monosulphoselenides in the form of a series SnS _x Se_1?x (where x?=?0, 0.25, 0.50,0.75 and 1) have been grown using the direct vapor transport technique (DVT). The analysis of the X-ray diffraction patterns reveals that all crystals belong to the orthorhombic crystal structure. Hall effect measurements were carried out on grown crystals at room temperature. The optical absorption measurements at room temperature have been carried out for all crystals. The values of the band gap were determined at atmospheric pressure and also calculated at high-pressure. Simultaneous thermoelectric power (TEP) and a.c. resistance measurements up to 8?GPa were carried out. The results of the effect of high-pressure on the electrical resistance of the grown crystals are reported in this paper.     

Effect of Cd content on the structural characteristic and some physical properties of Zn1−x Cd x Se

The present work focuses on the structural, optical, and electrical properties of Zn_1?x Cd _x Se (0.1≤x≤0.25) compounds. The compounds were synthesized by solid state reaction. X-ray diffraction (XRD) patterns confirm that the samples have cubic single phase (zinc-blende) crystal structure with space group F-43m. The crystal structural parameters were refined by the Rietveld method using the FullProf program. It was found that the lattice parameters increase linearly with increasing the Cd content and obeys Vegard’s law. The refined values of the crystallite size and the bond lengths increase with increasing the Cd content. The energy band gap of the samples has been calculated and it was found that it decreased as Cd increased. The conductivity of the samples increases with increasing both of composition parameter x and temperature, and showing semiconducting behavior.     

Magnetic Parameters of Hg1–x Mn x Se1–y S y and Hg1–x Mn x Te1–y S y Crystals

The magnetic susceptibility of Hg_1–x Mn _x Se_1–y S _y and Hg_1–x Mn _x Te_1–y S _y crystals is investigated by the Faraday method at H = 3 kOe in the temperature interval T = 77–300 K. It is established that the specific features of are due to Mn–S–Mn–S, Mn–Se–Mn–Se, and Mn–Te–Mn–Te clusters and mixed Mn–Se–Mn–S and Mn–Te–Mn–S clusters of different sizes in which the indirect exchange antiferromagnetic interaction between Mn atoms is realized through chalcogen atoms. Based on the dependences 1/_Mn = f(T), the magnetic parameters are determined and their dependences on the crystal composition (x and y) are established.     

Pressure Dependence of the Bandgap Bowing in Zinc-Blende ZnTe 1− x Se x

We report on the pressure dependence of the bandgap bowing in the ZnTe 1 m x Se x alloy, in the whole composition range. The bandgap bowing parameter is shown to increase almost linearly with pressure from 1.23 at ambient pressure to 1.6 at 7 GPa. Saturation effects observed in the pressure dependence for x =0.1 and x =0.2 are shown to be related to the direct-to-indirect crossover. Results are discussed and interpreted in the framework of structural relaxation models for gap bowing. A prediction of these models (the negative bowing of the o 15 m ;X 1 transition) is shown to be compatible with the fact that the direct-to-indirect crossover pressure increases with the Se content.     

Influence of the composition of TlGa1 − x Er x Se2 crystals on their dielectric characteristics and parameters of localized states

Frequency dependences of the real (?′) and imaginary (?″) parts of the complex permittivity, the dielectric loss tangent (tanδ), and the ac conductivity (σ_ac) in frequency range f = 5 × 10⁴?3.5 × 10⁷ Hz have been investigated for TlGa_{1 ? x} Er _x Se₂ crystals of various compositions. It has been established that the relaxation dispersion of ?′ and ?″ takes place for the studied crystals. The influence of the erbium content in the crystals on their dielectric coefficients has been studied. The ac conductivity of the TlGa_{1 ? x} Er _x Se₂ single crystals in the high-frequency range obeys the law σ_ac ～ f ^0.8, which is characteristic of the hopping mechanism of charge transfer over the states localized in the vicinity of the Fermi level. Parameters of the states localized in the band gap of TlGa_{1 ? x} Er _x Se₂ and the influence of the composition of the crystals on these parameters have been evaluated.     

Bandgap evolution of GaN1−x As x in the whole composition range

The bandgap evolution of GaN_1?x As _x in the whole composition range is investigated and a model describing its bandgap energy is developed. It is found that the bandgap evolution is due to two factors. One is the interaction between the impurity band and the Γ conduction band or the Γ valence band of the host materials. The other one is the intraband coupling within the conduction band and separately within the valence band. The former is dominant in the As-rich GaNAs and the N-rich GaNAs. The latter plays an important part in the N-rich range and the moderate composition range.     

Optical coefficients of Hg1 − x − y Cd x Eu y Se crystals

Optical properties of Hg_{1 ? x ? y} Cd _x Eu _y Se crystals grown by the Bridgman method have been investigated based on the independent reflectance and transmittance measurements, which were performed on a Nicolet 6700 spectrometer at T = 300 K in the wavelength range 0.9 ≤ λ ≤ 26.6 μm. The values of refractive index n, absorption index k, and absorption coefficient α have been determined for the crystals studied. Based on the dependences α = f(hν), the presence of direct allowed interband optical transitions in the crystals is established and the band-gap values are determined. The influence of temperature on the transmittance and band gap are investigated in the range T = 114–300 K.     

Structural features of the system of cubic crystals Zn0.999Fe0.001S1 ? x Se x (x = 0, 0.2)

The structural state of cubic single crystals Zn_0.999Fe_0.001S_{1 ? x} Se _x (x = 0, 0.2) obtained by the chemical transport method has been investigated using thermal neutron diffraction for the first time. It has been found that the diffraction patterns of these crystals contain the previously unknown effects of diffuse scattering caused by local statistic atomic displacements in the metastable fcc lattice.     

Fine structure and magnetism of bulk Zn1 − x Cr x Se single-crystal cubic compounds (0 ≤ x ≤ 0.045)

The character of structural and magnetic features of the cubic lattice of bulk Zn_{1 ? x} Cr _x Se crystals (0 ≤ x ≤ 0.045) has been investigated using thermal neutron diffraction and magnetic measurements. It has been found that the diffraction scans of doped crystals contain effects of nuclear diffuse scattering caused by local static atomic displacements in the face-centered cubic (fcc) lattice. Results of magnetic measurements of doped crystals indicate the presence of weak antiferromagnetic correlations, which are a consequence of structural features of these compounds.     

Dielectric properties and phase transitions in crystals of TlInS x Se2 − x solid solutions

This paper reports on a study of the dielectric permittivity and electrical conductivity of single-crystal TlInS _x Se_{2 − x} solid solutions as functions of temperature and composition. It has been found that the dielectric permittivity ɛ and electrical conductivity σ decrease with increasing x and increase with growing temperature. The temperature dependences ɛ = f(T) and σ = f(T) for TlInS _x Se_{2 − x} crystals have been demonstrated to reveal anomalies in the form of maxima, which suggests that these crystals undergo phase transitions. The temperatures of the phase transitions increase with increasing x.     

Temperature evolution of the crystal structure of Bi1 − x Pr x FeO3 solid solutions

The crystal structure of solid solutions in the Bi_{1 ? x} Pr _x FeO₃ system near the structural transition between the rhombohedral and orthorhombic phases (0.125 ≤ x ≤ 0.15) has been studied. The structural phase transitions induced by changes in the concentration of praseodymium ions and in the temperature have been investigated using X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. It has been established that the sequence of phase transformations in the crystal structure of Bi_{1 ? x} Pr _x FeO₃ solid solutions with variations in the temperature differs significantly from the evolution of the crystal structure of the BiFeO₃ compounds with the substitution of other rare-earth elements for bismuth ions. The regions of the existence of the single-phase structural state and regions of the coexistence of the structural phases have been determined in the investigation of the crystal structure of the Bi_{1 ? x} Pr _x FeO₃ solid solutions. A three-phase structural state has been revealed for the solid solution with x = 0.125 at temperatures near 400°C. The specific features of the structural phase transitions of the compounds in the vicinity of the morphotropic phase boundary have been determined by analyzing the obtained results. It has been found that the solid solutions based on bismuth ferrite demonstrate a significant improvement in their physical properties.     

Electrical and thermal properties of chalcogenide glass system Se75Ge25−x Sb x

The dc and thermal conductivities of five different compositions of the chalcogenide glass system Se₇₅Ge_25–x Sb _x have been studied in a temperature range below T _g. The dc conductivity results indicate that each composition has a single activation energy in the considered temperature range. The coefficient of thermal conductivity increased linearly with temperature below T _g for the compositions investigated. The increase of Sb content in the chalcogenide glass system leads to an increased coefficient of electrical conductivity , an increased coefficient of thermal conductivity , and to a decreased activation energy E and pre-exponential factor ₀. The observed compositional dependencies of and E have been correlated with the increase of weak bond density and the decrease of covalent bond density in the structure of the compositions investigated with increasing Sb content at the expense of Ge content. The decrease in ₀ and the increase in has been, respectively, correlated with the decrease in mobility and the increase in phonon velocity.     

Structural and optical properties of CuSe2 nanocrystals formed in thin solid Cu–Se film

This paper describes the structural and optical properties of Cu–Se thin films. The surface morphology of thin films was investigated by atomic force microscopy (AFM) and scanning electron microscopy (SEM). Formation of Cu–Se thin films is concluded to proceed unevenly, in the form of islands which later grew into agglomerates. The structural characterization of Cu–Se thin film was investigated using X-ray diffraction pattern (XRD). The presence of two-phase system is observed. One is the solid solution of Cu in Se and the other is low-pressure modification of CuSe₂. The Raman spectroscopy was used to identify and quantify the individual phases present in the Cu–Se films. Red shift and asymmetry of Raman mode characteristic for CuSe₂ enable us to estimate nanocrystal dimension. In the analysis of the far-infrared reflection spectra, numerical model for calculating the reflectivity coefficient of layered system, which includes film with nanocrystalite inclusions (modeled by Maxwell-Garnett approximation) and substrate, has been applied.