Structure and Electrical Conductivity of the Perovskites Pr1 – xSrxMnO3 (x = 0, 0.15, or 0.25)

Physics of the Solid State - The manganites Pr1 – xSrxMnO3 (x = 0, 0.15, or 0.25) prepared by a solid state synthesis method at a temperature of 1250°C have an...     

Magnetic Properties of Hydrides of RNi1 – xSix Compounds (R = Dy,Gd, x = 0.05, 0.02)

Physics of the Solid State - The magnetic properties of intermetallic compounds GdNi0.98Si0.02 and DyNi0.95Si0.05 and hydrides based on them have been studied. It is found that a partial...     

A Study of the Structure and Magnetic Properties of FeRh1 – xIrx (x = 0.5–1) Alloys by First-Principles Methods

Physics of the Solid State - The structure and magnetic properties of FeRh1 – xIrx alloys (x = 0.5, 0.625, 0.75, 0.875, and 1) are investigated by first-principles methods...     

Structure determination of the Cu(0 0 1)–c(4 × 4)-Sn surface by low-energy electron diffraction

Low-energy electron diffraction (LEED) have been used to determine the Cu(0 0 1)–c(4 × 4)-Sn structure formed at 300 K. It is demonstrated that a structural model suggested by scanning tunneling microscopy observations is correct: The model consists of one substitutional Sn atom and four Sn adatoms in the unit cell. Optimum parameters of the determined c(4 × 4) structure reveal that Sn adatoms laterally are displaced by 0.30 Å away from ideal fourfold-hollow sites along the 〈100〉 directions. It is proposed that such displacements of the Sn adatoms cause the formation of a network of octagonal rings on Cu(0 0 1). The substitutional Sn atom is located at each center of the octagonal rings. The formation conditions of the network are discussed.     

Martensitic Transformation,Magnetotransport Properties,and Magnetocaloric Effect in Ni47 – xMn42 + xIn11 Alloys (0 ≤ x ≤ 2)

Physics of the Solid State - The structure, electrical and magnetic properties of Ni47 – xMn42 + xIn11 (0 ≤ x ≤ 2) alloys upon changing the...     

Synthesis and Gas-Sensing Properties of MnO2 – x and MnO2 – x/CuO-Coated Multiwalled Carbon Nanotube Nanocomposites

Physics of the Solid State - Nanocomposites based on multiwall carbon nanotubes (MWCNTs) impregnated with manganese oxide MnO2 – x and copper oxide CuO are synthesized and...     

Effect of Pd Concentration on the Structure and Physical Properties of Ag100 – xPdx (x = 40, 50, and 60 at %) Alloys

Physics of the Solid State - Experimental investigations have been carried out to study the effect of Pd on the structure and physical properties of binary Ag100 – xPdx (at...     

Structures,stabilities and electronic properties of manganese oxyfluoride (MnOxFy) species (x + y = 1–4; x,y = 0–4)

In this work, a density functional survey on manganese oxyfluoride (MnO_xF_y) species for x + y = 1–4 is performed, in which an Mn atom interacts simultaneously with O as well as F atoms. The stabilities of all these species are established against dissociation to manganese oxides as well as fluorides and their relative stabilities are also discussed. It is revealed that the most favourable oxidation state of Mn is +4 in its oxyfluorides, same as in fluorides. For the first time, the superhalogen properties of MnOF₃, MnO₃F and MnO₂F₂ species are introduced on the basis of their high electron affinities as compared to halogens. The interaction of MnO₂F₂ superhalogen with an alkali metal (K) is considered via F atoms as well as O atoms which is similar to that in KF and leads to the formation of stable KMnO₂F₂ complex. Thus, this study is expected to motivate theorist to design a new series of superhalogen species using transition metals with mixed F and O ligands, as well as experimentalists to synthesise such novel complex compounds.     

Optical Properties of (ZrO2)1 – x(Y2O3)х (х = 0–0.037) Crystals Grown by Directional Crystallization of the Melt

Optics and Spectroscopy - The luminescent and optical properties of materials based on zirconium(IV) oxide grown by crystallization of ZrO2 melts with 0, 2.0, 2.5, 2.8, and 3.7 mol % of Y2O3 are...     

Heat Transfer Processes in Multiferroics Bi1 – xHoxFeO3 (x = 0–0.20)

Physics of the Solid State - The thermal diffusivity and thermal conductivity of multiferroics Bi1 – xHoxFeO3 (x = 0–0.20) have been studied in the high-temperature...     

Influence of Fe on Microstructure and Physical Properties of Cu90 – xFexPd10 Ternary Alloys with x = 5, 10, 15, and 20

Physics of the Solid State - The structural and physical properties of Cu90 – xFexPd10 ternary alloys with x = 5, 10, 15, and 20 are studied using X-ray diffraction,...     

Radiation stability of M1 − xPrxF2 + x (M = Ca,Sr, Ba) crystals

The radiation stability of the mixed crystals M_1 ? xR_xF_2 + x (M = Ca, Sr, Ba) depends on types of the alkaline-earth and rare-earth ions. Different to Eu- and Ce-containing systems, M_1 ? xPr_xF_2 + x solid solutions have a low radiation resistance, which may be associated with hole trapping on praseodymium ion according to the reaction Pr³⁺ → Pr⁴⁺ which is typical for praseodymium. The coloration efficiency of M_1 ? xPr_xF_2 + x crystals grows in the row Ca → Sr → Ba, which is explained satisfactorily within the model of rare-earth clusters, the structure of which is determined by the ratio of the base alkaline-earth cation to the praseodymium ion radii.     

Synthesis,Structure, and Thermal Properties of the YVO4–BiVO4 Oxides

Physics of the Solid State - The Y0.4Bi0.6VO4 and Y0.6Bi0.4VO4 solid solutions two-phase at xBi = 0.95, 0.90, and 0.80 have been formed by the solid-phase synthesis from the initial Y2O3, Bi2O3,...     

Specific Heat and Magnetocaloric Effect of LaFe11.2 – xMnxCo0.7Si1.1 (x = 0, 0.1, 0.2, 0.3)

Physics of the Solid State - The specific heat and the magnetocaloric effect of intermetallic LaFe11.2 – xMnxCo0.7Si1.1 (x = 0, 0.1, 0.2, 0.3) compounds have been measured...     

Temperature Dependence of the Lattice Parameters of Cu2 – xSe (0.03 ≤ x ≤ 0.23) Powders Fabricated by Mechanochemical Synthesis

Physics of the Solid State - Abstract—The Cu2 – xSe (0.03 ≤ x ≤ 0.23) powders fabricated by mechanochemical synthesis have been studied by X-ray...     

Quantum-chemical study of structural, spectral, and electrooptical parameters of fluorosilanes SiH4− x Fx(x=0–4)

The possibility of calculating the molecular structure, vibrational frequencies, and electrooptical parameters of the silane molecule SiH₄ and the silicon tetrafluoride molecule SiF₄ is analyzed by using the ab initio quantum-chemical method (the MP2 perturbation theory) and the density functional theory (the B3LYP functional) with a wide variation of basis sets up to the cc-pV5Z set. The results obtained are used as reference values for studing mixed fluorosilanes SiH_4?x F_x (x=1–3) and for refining their geometry, the vibrational frequencies, and the absolute intensities of absorption bands. Based on the results of high-level quantum-chemical calculation corrected against the experimental data for SiH₄ and SiF₄, the structural parameters of mixed flouro-silanes are estimated and their vibrational frequencies are calculated and assigned for the first time. The quantum-chemical estimates of the absolute intensities of IR spectra are for the first time presented for all mixed fluorosilanes.     

Mobility of Charge Carriers in a Single Crystal and Nanoceramic of the Superionic Pb1 – xSnxF2 Conductor (x = 0.2)

Physics of the Solid State - A crystallophysical model of ion transfer in the superionic Pb1 – xSnxF2 conductor with a fluorite (CaF2) structure is proposed. The...     

Structure and dielectric properties of solid solutions Bi7Ti4 + x W x Ta1–2x O21 (x = 0–0.5)

A number of solid solutions Bi₇Ti_{4 + x} W _x Ta_1–2x O₂₁ (x = 0–0.5) have been synthesized from oxides by solid-phase reaction. The crystal structure, the electrophysical characteristics, and the microstructure of the prepared ceramic samples have been studied. According to X-ray powder diffraction, all the compounds are single-phase with the structure of mixed-layer Aurivillius phases (m = 2.5) with the orthorhombic crystal lattice (space group I2cm, Z = 2). Temperature dependences of the relative permittivity ε(T) of the compound have been measured, from which it has been found that the Curie temperature T _C of perovskite-like oxides Bi₇Ti_{4 + x} W _x Ta_1–2x O₂₁ (x = 0–0.5) decreases linearly as substitution parameter x decreases. The activation energies of charge carriers have been found in different temperature ranges.     

Current Relaxation in TlGa1 – xDyxSe2 (x = 0.01, 0.03) Single Crystals

Physics of the Solid State - The low-temperature relaxation processes in TlGa1 – xDyxSe2 (x = 0.01, 0.03) single crystals have been studied experimentally. The physical...