Influence of anionic substitution on phase transitions in Cu6PS5I1− x Cl x mixed crystals

Cu₆PS₅I_{1? ?} ? _x Cl _x mixed crystals were grown using chemical vapour transport. Isoabsorption studies of optical absorption edge and optical polarization measurements were performed in the temperature range 77–320?K. The influence of anionic I?→?Cl substitution on the phase transitions in Cu₆PS₅I_{1? ?} ? _x Cl _x mixed crystals is studied. Compositional dependence of the phase-transition temperatures is obtained and the x,T-diagram for Cu₆PS₅I_{1? ?} ? _x Cl _x mixed crystals is constructed.     

Optical absorption behavior of Tl<Superscript>+</Superscript> DOPED Rb(Br<Subscript>1–<Emphasis Type="Italic">x</Emphasis></Subscript>I<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>) system

The optical absorption behavior of Tl⁺ doped Rb(Br_1–x I _x ) mixed crystals (with x = 0.00, 0.05, and 0.10) grown under vacuum by slow cooling from the melt has been studied. Absorption spectra of the mixed crystals recorded at room temperature showed that the characteristic A-absorption band of Tl⁺ ions in the Rb(Br_1–x I _x ) system (0.1 mol. %) with x = 0.00 (i.e., RbBr:Tl⁺) broadened with the iodine content towards the low energy side. Changes in the absorption spectra of the mixed crystals are due to creation of some complex centers involving Tl⁺, Br^–, and I^- ions with energy levels inside the band gap while forming the mixed crystal. The absorption spectra of gamma-irradiated mixed crystals showed the F-band, which shifted towards the low energy side due to the existence of iodine ions in the mixed crystals.     

Band gaps and charge distribution in quasi-binary (GaSb) (InAs) crystals

Pseudopotential investigation of energy band gaps and charge distribution in quasi-binary (GaSb)_1-x(InAs)_x crystals has been reported. To the best of our knowledge, there had been no reported theoretical work on these materials. In agreement with experiment, the quasi-binary crystals of interest showed a significant narrowing of the optical band gap compared to the conventional Ga_xIn_1-xAs_ySb_1-y quaternary alloys (with x = 1 - y). Moreover, the absorption at the optical gaps indicated that (GaSb)_1-x(InAs)_x is a direct Γ to Γ band-gap semiconductor within a whole range of the x composition. The information derived from the present study predicts that the band gaps cross very important technological spectral regions and could be useful for thermophotovoltaic applications. Received 30 August 2002 Published online 1st April 2003 RID="a" ID="a"Present address: Physics Department, University of M'sila, 28000 M'sila, Algeria e-mail: N_Bouarissa@yahoo.fr     

Be-composition effect on structure, electronic and optical properties of BexZn1-xO alloys

This paper carries out first principles calculation of the structure,electronic and optical properties of Be x Zn 1 x O alloys based on the density-functional theory for the compositions x = 0.0,0.25,0.5,0.75,1.0.The lattice constants deviations of alloys obey Vegard’s law well.The Be x Zn 1 x O alloys have the direct band gap(Γ-Γ) character,and the bowing coefficients are less than the available theoretical values.Moreover,it investigates in detail the optical properties(dielectric functions,absorption spectrum and refractive index) of these ternary mixed crystals.The obtained results agree well with the available theoretical and experimental values.     

X-ray diffraction studies on dilute solid solution of NaCl with Ag impurities

Abstract

X-ray investigations of Bragg scattering measurements have been carried out on the dilute solid solutions of Ag _x Na_1?x Cl for x = 0.03 and 0.10. The integrated intensities are measured on spherical single crystals, using a home-built manual X-ray diffractometer. The analysis of experimental data indicates an enhancement of Debye-Waller factor in this system. The size effect distortion factors evaluated are compared with the calculated values on the basis of different theoretical models and the results are discussed. The measured cell constant and density data indicate the existence of vacancies in these crystals.     

Melting temperature variation with concentration of alkali halides in mixed crystal systems

Diffusion-vibration theory of melting (Sharmaet al 1991) has been extended to study the variation in the melting temperature of mixed ionic crystals with concentration. The melting temperature varies non-linearly with concentration in the KCl _x Br_1−x , RbCl _x Br_1−x , K _x Rb_1−x Br and NaCl _x Br_1−x mixed alkali halides and shows a sharp increase in melting temperature for values ofx>0.5 which is in good agreement with the experimental values. This behaviour has been explained on the basis of present propounded theory.     

Phase transitions in RbxK1−x LiSO4 mixed crystals

Structural phase transitions in Rb_xK_1−x LiSO₄ mixed crystals (with x varying from 0 to 1) have been studied from the melting point to liquid-nitrogen temperature. Calorimetric (DTA and DSM) data, birefringence and optical polarization measurements were used to construct the full phase (T-x) diagram. It has been established that crystals of most compositions (x⩽0.95) grow in the hexagonal-trigonal KLiSO₄ structure. Replacement of K by the larger Rb atom results in a considerable increase of the region of existence of the P31c phase and expulsion of the high-temperature hexagonal phase. Fiz. Tverd. Tela (St. Petersburg) 40, 1341–1344 (July 1998)     

Photoemission studies of Cd1−xPbxF2 mixed crystals

Mixed Cd_1−xPb_xF₂ and pure PbF₂, CdF₂ crystals have been investigated using UPS spectroscopy. The CdF₂ valence density of states, due mainly to F _2p electrons, is reconstructed due to the presence of Pb 6s states. The width of the valence band increases from 3.9 eV for CdF₂ to 6.6 in PbF₂. The contributions of cationic s and anionic p electrons have been identified. The experimental results confirm the recent theoretical calculations of electronic states in mixed Cd_1−xPb_xF₂ crystals [1].     

Pressure dependence electrical resistivity in DVT grown molybdenum dichalcogenides

Abstract

Single crystals of MoS _x Se_2?x (x=0, 1, 2) have been grown by direct vapour transport method. Pressure-dependent d.c. electrical resistivity measurements have been carried out on the grown crystals to check the possibility of phase transition up to 8 GPa. However, no such transition is observed in the present case but a decrease in resistivity is found with increase in pressure. The observed results have been analysed and discussed on the basis of band structure.     

On Reasons for Anomalies of Properties in a Series of Mixed K2CoxNi1–x(SO4)2 · 6H2O Crystals

The microhardness and thermal stability of mixed K₂Co_xNi_1–x(SO₄)₂ · 6H₂O crystals have been studied for the {110} and {001} growth sectors. Maxima of the onset temperature of dehydration have been found at x ≈ 0.1 and x ≈ 0.9. The structure of the {110} and {001} growth sectors has been studied. The observed changes in the properties have been attributed to the degree of imperfection of crystals depending on their sectoral inhomogeneity.

     

Magnetic phase transitions in Nd1 ? xDyxFe3(BO3)4 ferroborates

The magnetic properties of ferroborate single crystals with substituted compositions Nd_{1 − x} Dy _x Fe₃(BO₃)₄ (x = 0.15, 0.25) with competing exchange Nd-Fe and Dy-Fe interactions are investigated. For each composition, we observed a spontaneous spin-reorientation transition from the easy-axis to the easy-plane state and step anomalies on the magnetization curves for the spin-flop transition induced by a magnetic field B | c. The measured parameters and effects are interpreted using a unified theoretical approach based on the molecular field approximation and on calculations performed in the crystal-field model for the rare-earth ion. The experimental temperature dependences of the initial magnetic susceptibility from T = 2 K to T = 300 K, anomalies on the magnetization curves for B | c in fields up to 1.8 T, and their evolution with temperature, as well as temperature and field dependences of magnetization in fields up to 9 T are described. In the interpretation of experimental data, the crystal-field parameters in trigonal symmetry for the rare-earth subsystem are determined, as well as the parameters of Nd-Fe and Dy-Fe exchange interactions.     

Electron mobility and electron scattering in CdxHg1−xSe mixed crystals

We report a detailed study, both experimental and theoretical, of electron mobility and Hall coefficient in small-gap Cd_xHg_1?xSe mixed crystals. The electron mobility is calculated by the variational technique. The results obtained with no adjustable parameter are within 15% of the experimental values in the range of temperature 4.2–300 K, electron concentrations 7 × 10¹⁶?5 × 10¹⁸cm^?3 and composition 0 < x ? 0.25.The scattering of electrons by charged centres, optical phonons (polar and nonpolar interaction), acoustic phonons as well as disorder (alloy) scattering is taken into account. It is shown that the composition-dependent dielectric function and the band edge symmetry play an important role in the explanation of the experimental results.     

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.     

Optical properties of TlGaxIn1-xSe2-layered mixed crystals (0.5 ≤ x ≤ 1) by spectroscopic ellipsometry,transmission, and reflection measurements

The layered semiconducting TlGa_xIn_1-xSe₂-mixed crystals (0.5?≤?x?≤?1) were studied for the first time by spectroscopic ellipsometry measurements in the 1.2–6.2?eV spectral range at room temperature. The spectral dependence of the components of the complex dielectric function, refractive index, and extinction coefficient were revealed using an optical model. The interband transition energies in the studied samples were found from the analysis of the second-energy derivative spectra of the complex dielectric function. The effect of the isomorphic cation substitution (indium for gallium) on critical point energies in TlGa_xIn_1-xSe₂ crystals was established. Moreover, the absorption edge of TlGa_xIn_1-xSe₂ crystals have been studied through the transmission and reflection measurements in the wavelength range of 500–1100?nm. The analysis of absorption data revealed the presence of both optical indirect and direct transitions. It was found that the energy band gaps decrease with the increase of indium content in the studied crystals.     

Electrical properties of a-Ge<Subscript>x</Subscript>Se<Subscript>100-<Emphasis Type="Italic">x</Emphasis></Subscript>

In general, the conductivity in chalcogenide glasses at higher temperatures is dominated by band conduction (DC conduction). But, at lower temperatures, hopping conduction dominates over band conduction. A study at lower temperature can, eventually, provide useful information about the conduction mechanism and the defect states in the material. Therefore, the study of electrical properties of Ge_xSe_100-x in the lower temperature region (room temperature) is interesting. Temperature and frequency dependence of Ge_xSe_{100-x (x} = 15, 20 and 25) have been studied over different range of temperatures and frequencies. An agreement between experimental and theoretical results suggested that the behaviour of germanium selenium system (Ge_xSe_100-x ) have been successfully explained by correlated barrier hopping (CBH) model.     

High-frequency dielectric study of the dynamics of (KBr)1−x (KCN) x mixed crystals

Dielectric measurements have been performed at 1 and 10 GHz in (KBr)_1–x (KCN) _x mixed crystals for cyanide concentrationsx=0.25 andx=0.50 in the temperature rangeT=1.7–150 K. The maxima of the real and imaginary parts of the dielectric constant falls into the Arrhenius straight lines obtained at lower frequencies. These dipolar lines cross over the so-called quadrupolar (acoustic) lines, in contradiction with theoretical predictions on the nature of the freezing. We also present a qualitative model which reinterprets the dipolar and quadrupolar freezings in terms of an individual and a collective processes.Associated with the Centre National de la Recherche Scientifique     

Ellipsometry study of interband transitions in TlGaS2xSe2(1−x) mixed crystals (0≤x≤1)

In this paper, the spectroscopic ellipsometry measurements on TlGaS_2xSe_2(1?x) mixed crystals (0≤x≤1) were carried out on the layer-plane (001) surfaces with light polarization E⊥c^? in the 1.2–6.2 eV spectral range at room temperature. The real and imaginary parts of the dielectric function, refractive index and extinction coefficient were calculated from ellipsometric data using the ambient-substrate optical model. The critical point energies in the above-band gap energy range have been obtained from the second derivative spectra of the dielectric function. Particularly for TlGaSe₂ crystals, the determined critical point energies were assigned tentatively to interband transitions using the available electronic energy band structure. The effect of the isomorphic anion substitution (sulfur for selenium) on critical point energies in TlGaS_2xSe_2(1?x) mixed crystals was established.     

DSC and electrical conductivity studies of (Li1−xKx)2SO4 mixed crystals

Abstract

(Li_1?K_x)₂SO₄ mixed crystals were prepared by the precipitation technique where x = 0.5, 0.7, 0.9 and 0.99. The phase transformations of the mixed crystals have been analyzed by the DSC technique. The DSC curves of (Li_1?xK_x)₂SO₄ mixed crystals reveal that as the potassium content increases the first high temperature phase of the intermediate LiKSO₄ phase at T = 436°C disappears and a two- phase mixture of LiKSO₄ and K₂SO₄ is found for x = 0.7 and 0.9. It is observed from the electrical conductivity measurements of (Li_1?xK_x)₂SO₄ mixed crystals that the electrical conductivity increases as the K₂SO₄ concentration increases with average activation energy of 1.04 eV. The enhancement in the electrical conductivity is primarily a result of the presence of two ionically conducting constituents and the formation of a diffuse space charge layer at the interface region between these two phases.     

Deuteron induced damage in alkali halides

Abstract

The thermoelectric and galvanomagnetic properties in the CdxHg1_xTe solid solution samples (x = 0.12; 0.15) irradiated at 300 K by electrons (3.5 MeV; by integrated fluxes up to 1.46 × 10¹⁸e/cm²) have been investigated in a wide temperature range 4.2–300 K and in magnetic fields 0–22 kOe.

It has been discovered that the electron irradiation of Cd_xHg_1–xTe crystals leads to an increase of the Hall coefficient and a decrease of the thermo e.m.f. sign inversion temperature. The concentrations and mobilities of electron and hole have been calculated on a basis of quantitative analysis of galvanomagnetic data. It has been shown that the kinetic coefficient behavior upon irradiation is due to the Te vacancy-based type radiation defect origin.     

Physical,optical and electrical properties of calcium bismuth borate glasses

The variation in physical, optical and electrical properties has been investigated as a function of Bi₂O₃ content in 20CaO?·?xBi₂O₃?·?(80???x)B₂O₃ (0?≤?x?≤?60, in mol%) glasses. The samples were prepared by normal melt-quenching process, and the optical absorption and reflection spectra were recorded in the wavelength range of 400–950 nm. The fundamental absorption edge has been identified from the optical absorption spectra. The optical band gap, E _g, for indirect allowed and indirect forbidden transitions has been determined from the available theories and its value lies between 1.80–2.37 eV and 1.08–2.19 eV, respectively. The theoretical fitting of the optical absorption indicates that the present glass system behaves as an indirect gap semiconductor. The origin of the Urbach energy, ΔE, has been associated with the phonon-assisted indirect transitions. The refractive index and optical dielectric constant have been evaluated from the reflection spectra. The density and molar volume are found to depend on the molar concentration of Bi₂O₃. The values of DC electrical conductivity have been measured from 373 to 623 K and the activation energy has been calculated. Theoretical optical basicity has been reported as a function of the Bi₂O₃ content. The variations have been discussed in terms of structural changes.