Evidence for formation of Se molecular clusters during precipitation of CdSe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> nanoparticles in glass

While studying the effect of thermal treatment at 625–700°C on the formation of borosilicate glass-embedded CdSe or CdSe_1−x S _x nanocrystals, pronounced bands at 323 and 646 cm⁻¹ were observed in the Raman spectra. They are assigned to Se₂ clusters on the base of their frequency positions, widths, intensities, and resonance behavior. The precipitation of Se₂ molecular clusters in borosilicate glass is shown to occur when the heat treatment temperature and/or duration are beyond the range, most suitable for the formation of CdSe or CdSe-rich CdSe_1−x S _x nanocrystals.     

Kinetic Properties of the Mn<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>Gd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Se Solid Solutions

The results of kinetic study of the Mn_{1 – x}Gd_xSe chalcogenide solid solutions with different substitute concentrations (0 ≤ x ≤ 0.15) in the temperature range of 80–400 K are reported. The difference between the Hall constant and thermopower signs has been found. The electron-type conductivity determined from the Hall constant and hysteresis of the I–V characteristics have been explained by the existence of nanoareas with local electric polarizations. The sharp extrema observed in the temperature dependence of thermopower are explained by splitting of a narrow 4f subband by the crystal field.     

Ab initio calculations of the stability and structural defects of the <Emphasis Type="Italic">B</Emphasis>2 Cu<Subscript>x</Subscript>Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Al phases

The stability of the B2 Cu_xFe_1?x Al phases and the energy of defect formation are studied using ab initio band calculations. For B2 Cu_xFe_1?x Al alloys, vacancies in the 3d-metal sublattice and configurations with the minimum number of Fe-Cu bonds in the first coordination shell (including Fe antisite defects, which have a high local magnetic moment) are most stable. Complicated defect complexes with vacancies and displaced atoms, which are close to the atomic configurations of vacancy-ordered AlCu phases, can exist near the composition Cu_0.875Fe_0.125Al.     

Spectroscopy of charge transfer states in Mg<Subscript>1 – <Emphasis Type="Italic">x</Emphasis> </Subscript>Ni<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>O

Photoluminescence and photoluminescence excitation spectra of solid solution Mg_1–xNi_xO (x = 0.008) have been analyzed. The contributions of charge transfer electronic states and nonradiative Auger relaxation to the formation of the photoluminescence spectrum are discussed.     

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.     

Variability of the resulting microdeformation field in the Zn<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>V<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Se crystals (0.01 ≤ <Emphasis Type="Italic">x</Emphasis> ≤ 0.10)

A detailed neutronographic study of the bulk ZnSe crystals doped with vanadium up to the content commensurate with the solubility limit in a semiconductor matrix has been carried out for the first time at room temperature. The data that characterize nonuniformly-deformed states based on the cubic structural modification of the II–VI compounds are obtained. A simplified analysis of the broadening patterns of the diffraction profiles of main Bragg reflexes of the studied crystals shows that the resulting deformation covers macroscopic volumes, and the distribution of vanadium ions in the given cases may significantly deviate from the uniform distribution over volume. Relative to the initial cubic lattice, dominating trends towards symmetry changes preceding the phase stratification in the ZnSe crystals heavily doped with vanadium are revealed.     

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.     

Theory of the giant magnetoresistance in La<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>A<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>MnO<Subscript>3</Subscript>

To clarify the origin of the giant magnetoresistance (GMR) observed in La_1?x A _x MnO₃ (A²⁺=Sr²⁺, Pb²⁺, Ba²⁺ and Ca²⁺), we have investigated theoretically the electrical resistivity ρ of carriers in the background of Mn spins which interact with each other through the double exchange interaction. It has been found that extraordinarily large pin fluctuations caused by the instability of the ferromagnetic state are responsible for the transport anomalies including the GMR.     

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.     

Optical properties and ferromagnetism of ternary Cd<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te nanocrystals

Cd_1−x Mn _x Te (x = 0, 0.1, 0.2) nanocrystals have been synthesized by mechanical alloying (MA) Cd, Mn, and Se elemental powders. XRD patterns and HRTEM images confirmed the formation of cubic Cd_1−x Mn _x Te nanocrystals. All the diffraction peaks from elemental Cd, Mn, and Te powders disappeared completely in those XRD patterns of as-milled Cd_1−x Mn _x Te nanocrystals for more than 20 h. When the MA process was carried out for 40 h, typical zinc blende structure diffraction mode was exhibited in the XRD pattern. Subsequently, capping the surface of as-milled Cd_1−x Mn _x Te nanocrystals with long chain trioctylphosphine/trioctylphosphine oxide/nitric acid (TOP/TOPO/NA) molecules has achieved colorful dispersion solution, which shows similar optical properties to those CdTe nanocrystals prepared by wet chemical process. The grain size is within the range of 2–8 nm for the capped Cd_1−x Mn _x Te nanocrystals being ball milled for 40 h. The PL excitation peak red shifts to longer wavelength side with increasing Mn concentration. Pure CdTe nanocrystals show ferromagnetism behavior at room temperature, the saturation magnetization value and magnetic hysteresis loop increase with the content of substituting Mn ions within the Cd_1−x Mn _x Te nanocrystals.     

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.     

Magnetocapacitance effect in Gd<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>Mn<Subscript>1–<Emphasis Type="Italic">x</Emphasis> </Subscript>S

The capacitance and dielectric loss tangent of Gd_xMn_1–xS (x ≤ 0.2) solid solutions have been measured at a frequency of 10 kHz without magnetic field and in a magnetic field of 8 kOe in the temperature range of 90–450 K. An increase in the permittivity and a dielectric loss maximum have been detected in the low-temperature region. It has been found that the temperature of the maximum of the imaginary part of the permittivity shifts to higher temperatures with increasing concentration. The magnetocapacitance effect has been revealed for two compositions. The dielectric loss has been described in the Debye model with “freezing” dipole moments and in the orbital-charge ordering model.     

Dynamic Deformations of the Crystal Lattice of Sphalerite in the Zn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Se(<Emphasis Type="Italic">x</Emphasis>=0.01) Compound

Local distortions of the crystal lattice of the semiconductor compound Zn_{1 − x} Co _x Se (x = 0.01) have been investigated using thermal neutron diffraction. It has been found that the diffraction patterns of the crystal contain regions of diffuse scattering in the vicinity of strong Bragg peaks at 300 K. As the temperature decreases, the intensity of diffuse scattering effects substantially decreases. Arguments in favor of the assumption that the origin of the diffuse scattering is caused by the Jahn-Teller vibronic effect are presented.     

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.     

Metal-insulator transition in Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S crystals

Results of an experimental study of MnS, FeS, and Fe _x Mn_1?x S single crystals are presented. The phase composition, the lattice parameters, and the state of paramagnetic ions in Fe _x Mn_1?x S have been determined by x-ray diffraction analysis and Mössbauer spectroscopy. A sequence of transitions have been found in iron manganese sulfide with x = 0.29 at temperatures T ₁ ≈ 25–50 K, T ₂ ≈ 125 K, and T ₃ ≈ 190 K with a change in kinetic properties and the formation of a metallic state at low temperatures T ≈ 2 K. The possibility of a Mott-Hubbard transition in Fe _x Mn_1?x S sulfides with variation of the composition and the temperature is discussed.     

Formation of a cluster structure in the PbZr<Subscript>1 – <Emphasis Type="Italic">x</Emphasis> </Subscript>Ti<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>O<Subscript>3</Subscript> system

Microdeformations of the crystal lattices in the phombohedral and tetragonal regions of the PbZr_1–xTi_xO₃ phase diagram have been calculated and their dependences on the titanium concentration have been constructed. Based on an analysis of these dependences, it has been concluded that tetragonal-phase clusters form in the range 0.11< x < 0.12 and rhombohedral-phase clusters form in the range 0.725 < x < 0.750.     

Physical properties of Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Dy<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si crystals

The results of experimental investigation of magnetic and electric properties of Fe_1?x Dy _x Si crystals are reported. It is shown that the magnitude and position of the anomaly observed in the temperature dependences of magnetization are controlled to a considerable extent by the external magnetic field. It is found that the introduction of Dy ions leads to a weak magnetoresistive effect.     

Charge density of Ga<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Sb

Charge density calculations and electronic band structures for Ga _x Al_{1 − x} Sb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25 A ₀ by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.      

Ion conductivity,structural features,and multifractal properties of grain boundaries in CuCr<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>V<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript>2</Subscript>

The ion conductivity, crystal structure, and multifractal parameters of the sections of grain boundaries in CuCr_1?x V _x S₂ superionic conductors with 0 ≤ x ≤ 0.3 have been investigated. It is established that an increase in the surface area of grain boundaries and complication of their shape in such compounds facilitate ion transport. The effect of crystal structure peculiarities on the grain structure of these compounds has been revealed.     

Mössbauer studies of multiferroics BiFe<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript> (<Emphasis Type="Italic">x</Emphasis> = 0–0.20)

The Mössbauer studies on ⁵⁷Fe nuclei in multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) have been performed at room temperature. The multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) with the rhombohedral R3c structure have been prepared by solid-state synthesis under high pressures. The effect of substitution of Cr cations for Fe cations on the spatial spin-modulated structure, and also hyperfine electrical and magnetic interactions of ⁵⁷Fe nuclei has been studied. The substituted ferrites demonstrate an anharmonic modulated spin structure of cycloid type, in which iron atoms with different cation environments take part. The anharmonism parameter of the cycloid linearly increases from m = 0.10 at x = 0 to m = 0.78 ± 0.02 at x = 0.20. The constants of magnetic uniaxial anisotropy K _u are estimated at room temperature: K _u ≈ 0.36 × 10⁶ erg/cm³ at x = 0 and K _u ≈ 4.22 × 10⁶ erg/cm³ at x = 0.20.