Optical properties and electronic structure of YNi<Subscript>5 − <Emphasis Type="Italic">x</Emphasis></Subscript>Cu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> intermetallic compounds

The optical properties of hexagonal intermetallic compounds YNi_{5 − x} Cu _x (x = 0, 1, 2) have been investigated by ellipsometry in the spectral range of 0.22–15 μm. It is shown that the replacement of nickel atoms by copper atoms leads to local changes in the optical-conductivity spectra. A new absorption band is found at 3.5–4.5 eV; its intensity depends on the copper content. The plasma and relaxation frequencies of conduction electrons are determined. The electronic structure and interband optical conductivity of these compounds are calculated within the electron density functional theory using the pseudopotential method. The main parameters of the band structure and the total and partial densities of electronic states are determined. Qualitative agreement is obtained between the experimental and theoretical frequency dependences of the optical conductivity.     

Spin glass effects in Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S solid solutions

The magnetization, resistance, permittivity, and thermal expansion coefficient of cation-substituted sulfides Co _x Mn_{1 ? x} S have been measured. The relationship between the magnetic, electric, and elastic subsystems of Co _x Mn_{1 ? x} S solid solutions is established and the features of physical properties characteristic of multiferroics, induced by orbital-charge ordering, are found.     

Structural study of CuCr<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>V<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript>2</Subscript> substitutional solid solutions

The local structure and charged state of metal atoms in the CuCrS₂ matrix and CuCr_{1 − x} V _x S₂ solid solutions of substitution of vanadium for chromium (0 < x < 0.25) are studied by x-ray absorption spectroscopy (XAFS) using synchrotron radiation. According to XANES spectra (near-edge fine structures), introducing vanadium does not change the charged state of matrix elements and they exist as Cu(1+), Cr(3+), V(3+), and S(2−) in the solid solution. According to EXAFS spectra (extended fine structures), introducing vanadium slightly distorts the local structures of both Cr and Cu atoms (to a greater extent for copper than for chromium). The XAFS analysis data show that vanadium only partially filled vacant positions (specified by the composition of the initial mixture) in the chromium sublattice, the majority of them being located in irregular positions of slightly distorted octahedrons consisting of sulphur atoms. It is shown that the substitution effect leads to deformation (compression) of the lattices of CuCr_{1 − x} V _x S₂ samples without changing their crystallochemical structures and symmetries, but changes their magnetic structures.     

High-temperature study of SrFe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Mo<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3−<Emphasis Type="Italic">z</Emphasis></Subscript> perovskites

The structure of high-temperature SrFe_{1 − x} Mo _x O_{3 − z} (0 ≤ x ≤ 0.5) phases was studied. Such studies are necessary to understand the mechanism of oxygen transport in membrane materials used for high-temperature oxygen separation.     

X-ray spectra and electronic band structure of nitrogen in Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>N solid solid solutions

The electronic energy structure of the valence band and the x-ray absorption near edge structure (XANES) region of nitrogen in Al _x Ga_1?x N solid solutions and binary crystals of gallium nitride GaN and aluminum nitride AlN are calculated using the local coherent potential method and the cluster version of the muffin-tin approximation within the framework of the multiple scattering theory. It is demonstrated that the calculated electron densities of states correlate with the nitrogen K x-ray emission and nitrogen K x-ray absorption spectra. The electronic energy structure of the top of the valence band and the XANES region in Al _x Ga_1?x N solid solutions are compared with those in the binary crystals of the GaN and AlN nitrides, and an interpretation of their specific features is proposed. An analogy is drawn between the evolution of the electronic energy structure of the valence band and the XANES region in the alloys under investigation and the evolution of the electronic band structure in the Al _x B_1?x N and B _x Ga_1?x N alloys. General trends in the transformation of the structure and variations in properties of these alloys are discussed.     

Structure and dielectric response of Na<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>K<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>NO<Subscript>2</Subscript> nanocomposite solid solutions

This paper reports on the results of the investigation into the thermal evolution of the structure and dielectric properties of Na_{1 ? x} K _x NO₂ solid solutions (x = 0, 0.05, 0.10) embedded in porous glass with an average pore diameter of 70 ± 10 Å in the range 300–447 K, i.e., in the ferro-and paraelectric phases. The structural properties of the bulk and nanostructured materials are compared. It is shown that the introduction of small amounts of potassium brings about a noticeable change in the intensity ratio of the elastic Bragg peaks, while leaving the space group characterizing the structure of these nanocomposites unaffected. An increase in the potassium fraction does not result in a substantial decrease in the phase transition point. Measurements of the dielectric response have revealed that an increase in the potassium content gives rise to a marked “hardening” of the lattice in the premelting state, which reduces dielectric losses.     

Magnetic properties of single crystals of the Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S solid solutions (0 ≤ <Emphasis Type="Italic">x</Emphasis> < 0.3)

The Cr _x Mn_{1 − x} S single crystals have been synthesized based on manganese monosulfide as a result of cation substitution, and their magnetic properties have been studied. It has been established that the Cr _x Mn_{1 − x} S solid solutions with a face-centered cubic NaCl structure are formed in the concentration region 0 ≤ x < 0.3. The unit cell parameter of the solid solution decreases as the degree of substitution increases due to the variation in the ionic radius of cations. These substances are antiferromagnets. An increase in the degree of cation substitution in the Cr _x Mn_{1 − x} S solid solutions is accompanied by a decrease in the number of 3d electrons in the d shell of manganese monosulfide and causes a decrease in the magnetic transition temperature from 149 K (x = 0) to 96 K (x = 0.29), which differs from previously known results.     

Elasticity moduli of Cd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Hg<Subscript>1–<Emphasis Type="Italic">x</Emphasis></Subscript>Te solid solutions

Results of investigations into the temperature dependences (4.2–300 K) of the low-frequency ultrasound velocity in Cd _x Hg_1–x Te single crystals are presented. The elastic moduli and the Debye temperatures are calculated for different solid solution compositions. Based on the data obtained, possible stresses are estimated on the heteroboundary of the materials with a number of substrates.     

Optical absorption edge of As<Subscript>40–<Emphasis Type="Italic">x</Emphasis></Subscript>Sb<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript>60</Subscript> glassy alloys

The fundamental absorption edge of glassy alloys of an As–Sb–S system was studied in the temperature range 77–300 K. The spectral and thermal behavior of the fundamental absorption edge of As_40–x Sb_xS₆₀ glasses was shown to be described by an exponential function of phonon energy. The temperature and concentration behavior of the optical band gap in the studied glasses was established. The well-known Varshni relationship was used to describe the temperature dependence of the optical band gap.     

Spectral-luminescent properties of LiRbLa<Subscript>2 − <Emphasis Type="Italic">x</Emphasis></Subscript>Eu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>(MoO<Subscript>4</Subscript>)<Subscript>4</Subscript> solid solutions

The luminescent properties of LiRbLa_{2 − x} Eu _x (MoO₄)₄ (x = 0.002, 0.02, 0.1, 0.2, 0.5, 1.0, 1.5, 2.0) solid solutions are investigated under laser excitation {λ_ex = 337.1 nm). It is established that the composition containing 50 at % Eu³⁺ is the brightest of the considered set of phosphors and has the highest quantum yield.     

Radiative transitions to localized Eu states in Pb<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Eu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te solid solutions

Two types of radiative transitions were observed in the low-temperature photoluminescence spectra of Pb_1?x Eu _x Te (0 ≤ x ≤ 0.09) solid solutions: an intense line corresponding to the transitions from the conduction to the valence band and a series (up to 15) of narrow lines corresponding to the transitions from the hybridized conduction band to the split Eu³⁺ levels. The intensity of the discrete lines increases with x, and their energies (and intensities) weakly depend on the temperature. The absorption and emission of the discrete lines are caused by the 4f ⁷(⁸ S _7/2) ? 4f ⁶(⁷ F _J )[L ₆ ^? + 5dt _2g ] transitions.     

Thermal expansion and permittivity of (Ba<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Bi<Subscript>2<Emphasis Type="Italic">x</Emphasis>/3</Subscript>)TiO<Subscript>3</Subscript> solid solutions

The strain, the thermal expansion coefficient, and the permittivity of ceramic samples of (Ba_{1 − x} Bi_2x/3)TiO₃ solid solutions with x = 0, 0.01, 0.03, and 0.05 have been studied in the temperature range 120–700 K. Based on an analysis of the results, the temperature-composition phase diagram has been refined, and the temperature dependence of the polarization has been calculated.     

Spectral-luminescent properties of AgLa<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Eu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>(MoO<Subscript>4</Subscript>)<Subscript>2</Subscript> solid solutions

The luminescent properties of AgLa_{1 − x} Eu _x (MoO₄)₂ (x = 0.1, 0.2, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0) under laser excitation (λ = 337.1 nm) are studied. It is shown that, upon substitution of Eu³⁺ for La³⁺, the symmetry of luminescence centers does not vary. According to the X-ray diffraction data, all samples have scheelite-like structure; the pattern of variation in volumes of their unit cells counts in favor of the presence of a continuous series of solid solutions. It is found that an increase in the europium concentration in AgLa_{1 − x} Eu _x (MoO₄)₂ leads to an increase in the luminescence intensity with a maximum at x = 0.9.     

Rubidium-cation conductivity of Rb<Subscript>3–2<Emphasis Type="Italic">x</Emphasis></Subscript>Pb<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>PO<Subscript>4</Subscript> solid solutions

New Rb₃PO₄-based ceramic materials with high rubidium-cation conductivity in the Rb_3–2x Pb _x PO₄ system have been synthesized and studied. Introduction of Pb²⁺ cations leads to a sharp increase in the conductivity of rubidium orthophosphate due to formation of cation vacancies and, at temperatures 350–550°C, also due to the stabilization of high-temperature cubic modification Rb₃PO₄. At high temperatures, the electrolytes prepared have very high ion conductivity higher than 10^–1 S cm^–1 at 700°C, which is higher than the values previously obtained in similar systems with additions of tin and cadmium ions. The factors influencing the transport properties of the materials under study are discussed.     

Magnetostriction of Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S (<Emphasis Type="Italic">x</Emphasis> = 0.27) crystals

The magnetostriction of Fe _x Mn_{1 − x} S (x = 0.27) single crystals in strong magnetic fields up to 120 kOe has been investigated. It has been found that the magnetostriction reaches colossal values (±3 × 10⁻⁴) atypical of compounds of 3d elements. It has been found that the magnetostriction changes sign when varying temperature and magnetic field; this behavior indicates an important role of the spin-phonon interactions in the formation of the magnetic order in solid solutions of iron-manganese sulfides.     

Synthesis and magnetic and electrical study of Tm<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>Mn<Subscript>1–<Emphasis Type="Italic">x</Emphasis> </Subscript>S solid solutions

New antiferromagnetic semiconductor compounds Tm_xMn_1–xS (0 ≤ x ≤ 0.15) with an NaCl-type FCC lattice are synthesized, and their structural, magnetic, and electrical properties are investigated at temperatures of 80–1100 K in magnetic fields of up to 10 kOe. Anomalies in the temperature dependence of resistivity in the region of magnetic transition are observed. The activation energy of the synthesized compounds is found and shown to grow along with the concentration of a substitute.     

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.     

New magnetic materials Cu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S with a metal-insulator transition

This paper reports on first results of the synthesis and study of the thermal, structural, electrical, resonance, and magnetic properties of new sulfide materials Me _x Mn_{1 − x} S (Me = Cu, 0 < x < 0.2) synthesized based on manganese monosulfide. The materials have a NaCl cubic structure at 300 K and undergo a concentration metal-insulator transition with increasing degree of substitution and with varying temperature. The magnetic transition occurs in the region of the heat capacity anomaly. The Néel temperature is slightly dependent on the copper concentration. The samples with a high copper content exhibit metallic conduction at T < 260 K and semiconductor conduction at T > 260 K.     

Electronic structure and ground state parameters of Ru<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript><Emphasis Type="Italic">Me</Emphasis><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al refractory alloys

The electronic structure and ground state parameters of B2 RuAl-based refractory alloys have been investigated in the framework of the density functional theory using the exact muffin-tin orbital method in combination with the coherent potential approximation. It has been demonstrated that the number of states at the Fermi level for the Ru_{1 − x} Me _x Al alloys as a function of the alloying metal content has a minimum, which indicates a change in the Fermi surface topology and the presence of specific features in the behavior of elastic constants. It has been concluded that the electronic structure of the alloys can be described in terms of the rigid band model. The nonlinear variations of the lattice parameters of the alloys has been explained.