Investigation of the influence of nonstoichiometry and doping with carbon and nitrogen on the electronic spectrum of rutile by the coherent potential method

The electronic spectra and magnetic properties of rutile (TiO₂), nonstoichiometric rutile (TiO_{2 ? δ}), and stoichiometric and nonstoichiometric rutiles doped with carbon or nitrogen (TiO_{2 ? y ? δ}C _y and TiO_{2 ? y ? δ}N _y , y(δ) = 0, 0.03, 0.06) have been calculated using the coherent potential method. The used method of investigation has made it possible for the first time to calculate the disordered arrangement of impurity atoms and vacancies in the oxygen sublattice with their arbitrary concentration. The changes in the electronic spectrum and magnetic properties with variations in the concentration of dopants have been investigated. The possible photocatalytic activity of considered compositions has been analyzed.     

Magnetic transitions in LaFe13−x−yCoySix compounds

The magnetic properties of a set of LaFe_13?x?yCo_ySi_x compounds (x = 1.6 ? 2.6; y = 0, y = 1.0) have been investigated using magnetic measurements, thermal expansion, ⁵⁷Fe Mössbauer spectroscopy and high resolution neutron powder diffraction methods over the temperature range 10–300 K. The natures of the magnetic transitions in these LaFe_13?x?yCo_ySi_x compounds have been determined. The Curie temperatures of LaFe_13?xSi_x were found to increase with Si content from T_C = 219(5) K for Si content x = 1.6 to T_C = 250(5) K for x = 2.6. Substitution of Co for Fe in LaFe_10.4Si_2.6 resulted in a further enhancement of the magnetic ordering temperature to T_C = 281(5) K for the LaFe_9.4CoSi_2.6 compound. The nature of the magnetic transition at the Curie temperature changes from first order for LaFe_11.4Si_1.6 to second order for LaFe_10.4Si_2.6 and LaFe_9.4CoSi_2.6. The temperature dependences of the mean magnetic hyperfine field values lead to T_C values in good agreement with analyses of the magnetic measurements. The magnetic entropy change, ?ΔS_M, has been determined from the magnetization curves as functions of temperature and magnetic field (ΔB = 0 ? 5 T) by applying the standard Maxwell relation. In the case of LaFe_12.4Si_1.6 for example, the magnetic entropy change around T_C is determined to be -ΔS_M ～ 14.5 J kg^?1 K^?1 for a magnetic field change Δ B = 0 ? 5 T.     

Magnetic properties of (Ge,Pb)1−xMnxTe

Pseudoternary alloys {(GeTe)_1?y(PbTe)_y}_1?x(MnTe)_x have been prepared and the magnetic and electrical properties of these alloys have been studied. The magnetic interaction in (PbTe)_1?x(MnTe)_x is very weak, but it has been found that the {(GeTe)_1?y(PbTe)_y}_1?x (MnTe)_x alloys (y ≦ 0.1) are ferromagnetic. In the latter, the increase of the amount of Pb substitution makes both the paramagnetic Curie temperature and the carrier density lower. These experimental results are discussed by using the RKKY interaction.     

Quantum-chemical modeling of the electronic structure and magnetic properties of Sn1 − x − y M x Sb y O2, M = Cr, Mn, Co, or Ni (x = 0.25; y = 0, 0.25)

The electronic and magnetic structures of the Sn_0.75 M _0.25O₂ and Sn_0.5 M _0.25Sb_0.25O₂ (M = Cr, Mn, Co, Ni) compounds with a structure that is derivative of the rutile structure are modeled using the ab initio spin-polarized tight-binding linear muffin-tin orbital (TB-LMTO) method. The magnetic moments of the transition metal atoms are calculated. The data obtained are used to analyze the influence of the composition of Sn_{1 ? x ? y} M _x Sb _y O₂ phases on their electronic spectra and the magnetic and transport characteristics.     

Magnetic ordering in EuxSr1−xSySe1−y

Specific heat and ac-susceptibility measurements are reported for Eu_xSr_1?xS_ySe_1?y samples. The critical concentrat ion for long-range magnetic ordering x_c increases with decreasing y, for y = 0.1, x_c = 1.0 holds. For samples with x < x_c a broad peak in the specific heat and a peak in the susceptibility at lower temperatures indicates a spin glass type of magnetic ordering.     

Mössbauer studies in amorphous Fe80−x−y Ni x Mn y B12Si8 alloys

Room temperature Mössbauer studies have been carried out on amorphous Fe_80?x?y Ni _x Mn _y B₁₂Si₈ (x=35, 40, 45, 50 and 0≤y≤1). Thex=40 and 45 samples, showed an increase in the average hyperfine field, wheny increased from 0.0 to 0.2 at% in the former and 0.0 to 0.5 at% in the latter. The hyperfine field decreased fory=1.0. This is similar to the results of the magnetic moment on these samples, published earlier.     

Superconducting and normal state properties of Ag1−xSn1 + xSe2−y

The occurrence of superconductivity in a new ternary non-transition element compound with the cubic NaCl structure is reported. The composition of this compound is Ag_1?xSn_{1 + x}Se_2?y, with a maximum homogeneity range given by ?0.02 ?x?0.24 and 0 ? y ?0.1. The superconducting transition temperature (T_c) ranges from a minimum of 4.5 K for x = ?0.02, y = 0 to a maximum of 6.9 K for x = 0.24,y = 0. These T_c's are higher than previously observed in nontransition element NaCl structure compounds. Electrical resistivity data show a positive temperature coefficient, and room temperature magnetic susceptibility measurements reveal a rapidly increasing density of states at the Fermi level with increasing x. Two ionic models for calculating the carrier concentration of Ag_1?xSn_{1 + x}Se_2?y are discussed, and a third model based on the band picture is proposed. The composition dependence of the magnetic susceptibility was used to test the validity of each of the models.     

Mössbauer and magnetometric studies of the magnetism of quasi-ordered Fe-Al alloys with Ga, V and Mn admixtures

The introduction of additives of Ga, V and Mn (M _x,y = 0, 5, 10 at %) to ordered alloys Fe₆₅Al₃₅-Fe_{65 ? y} Al_{35 ? x} M _x,y is aimed at studying the general and specific features of the magnetic characteristics of these alloys as functions of their temperatures (5–300 K) and magnetic fields (up to 5 T). In this work, we discuss the possibiliy of interpreting the combined results from magnetometry and Mössbauer spectroscopy in terms of magnetic phase separation and models of localized magnetic moments.     

Quantum wells under an in-plane magnetic field: Effect of the composition parameters on excited electron energy splitting

The dependence of the electronic spin-splitting energy on the composition parameters (x,y) in In_xGa_1?xAs–In_yAl_1?yAs-based quantum wells, has been calculated. InGaAs narrow gap structures, subjected to in-plane magnetic fields, have been selected because these structures have a big Landè factor. The dependence of the Landé factor both on the applied fields and composition parameters has been included for fixed well width and external electric field. Contributions from the interfaces and strain, which also depend on the composition, are included. Spin-splitting energy and density of states show a strong dependence on the above parameters.     

Terahertz spectroscopy of quantum-well narrow-bandgap HgTe/CdTe-based heterostructures

The energy spectra of quantum-well narrow-bandgap Hg_{1 ? y} Cd _y Te/Cd _x Hg_{1 ? x} Te heterostructures have been studied. The dependences of the effective cyclotron mass on the density (in classical magnetic fields) and the transition energy (in quantizing fields) have been obtained from the cyclotron resonance measurements. These dependences confirm the near-linear dispersion law for the electrons with small mass at the band bottom (the minimum cyclotron mass measured is 0.003 m ₀). The interband photoconductivity of the CdHgTe-based structures with the long-wavelength photoresponse edge lower than 6 meV has been demonstrated.     

Magnetic ordering of Fe atoms in icosahedral Al70−x BxPd30−y Fey quasicrystals

Novel icosahedral quasicrystals, in which Fe atoms possess a magnetic moment, have been found in Al_70?x B_xPd_30?y Fe_y compounds with 5<x<10 and 10<y<20. The compounds have ferromagnetic properties, and their Curie temperature ranges between 280 and 340 K, the saturation magnetization σ _s(5 K)≈7.5 emu/g. It follows from Mössbauer spectra that only a fraction of Fe atoms (12 to 15%) are magnetically ordered at 4.2 K, and the mean saturation field 〈H _hf〉=96 kOe. The isomer shift values confirm that the atomic volume of magnetic Fe sites is larger than that of nonmagnetic Fe sites. The magnetic properties of these quasicrystals can be interpreted in terms of large magnetic clusters with a size of 185 to 290 Å. This size correspond to about 4×10⁴ “unit cells,” hence the magnetic state can be described in terms of bulk parameters. The localized magnetic moment of Fe atoms is tentatively ascribed to bonding between Fe and B, similarly to that in the amorphous Fe_～50B_～50 alloy.     

Spin gap systems: What can be measured by muon spin relaxation?

Muon spin relaxation (μSR) and nuclear magnetic resonance (NMR) are powerful probes of magnetism, which have been extensively applied to studies of spin gap systems. Comparison of results obtained with the two techniques gives complementary results, as each is sensitive to different aspects of spin gap magnetism. We discuss recent μSR measurements of the spin ladder compounds Sr _n?1Cu _n+1O_2n , pure and doped Haldane materials (Y_2?x Ca _x )Ba(Ni_1?y Mg _y )O₅, and doped spin Peierls compounds (Cu_1?x Zn _x )(Ge_1?y Si _y )O₃.     

Mössbauer study of Zn2+ and Sn4+ additives in Nickel ferrites

The Mössbauer study of Fe⁵⁷ in polycrystalline solid solutions of Ni_{1 + x ? y}Zn_ySn_xFe_{2 ? 2x}O₄ (y = 0.1, 0.3, 0.5 and x = 0.1 to 0.5 with x varying in steps of 0.1) has been made. The present work has been aimed at investigating the variation of isomer shift, nuclear magnetic field at Fe⁵⁷ nuclei and ionic distribution at tetrahedral and octahedral sites when the concentration of Zn²⁺ and Sn²⁺ ions is successively increased in nickel ferrites. The ionic distribution in samples having low tin concentration has been explained on the basis of Neel's molecular field model whereas the ionic distribution of samples having high tin and zinc concentration has been explained on the basis of formation of isolated superparamagnetic clusters at the octahedral site. It has been inferred that a larger substitution of zinc and tin ions enhances relaxation effects.     

Band model describing the magnetic properties of Fe2−xMxP1−yAsy type compounds with hexagonal structure

The variation of the magnetic properties of the system Fe₂P_1?yAs_y, in the structure range of Fe₂P, enables us to derive a band model for these compounds. It is characterized by very narrow d bands splitted by the crystal-field. The bandwidth is close to the exchange interactions and to the crystal-field splitting. The model, extended to the series Fe_2?xM_xP_1?yAs_y, where M = Mn, Fe, Co, Ni is able to explain magnetic, electric and hyperfine results.     

Thermodynamics of type A1−xBxC1−yDy III–V quaternary solid solutions

An improved theory based on the pair approximation is given for the thermodynamic properties of type A_1?xB_xC_1?yD_yIII–V quaternary solid solutions. The theory takes into account the quasi-chemical nature of the nearest neighbor pair distribution, which has been neglected or inadequately treated in previous work. With a suitable thermodynamic treatment, a quasi-chemical equilibrium relation for the nearest neighbor pair distribution is derived. Numerical calculations using available thermodynamic data show that the distribution will deviate appreciably from random mixing values in the In_1?xGa_xP_1?yAs_y and Al_1?xGa_xAs_1?ySb_y systems due to a short-range clustering effect of nearest neighbor pairs with strong bond energy, whereas the deviation will be small in the Al_1?xGa_xP_1?yAS_y system. The expressions for the chemical potentials and the activity coefficients of the binary compound components are given. These are readily applicable to phase diagram calculations.     

Phase stratification in the Nd1 − x BaxCoO3 − δ (0.3 ≤ x ≤ 0.54) system

Slowly cooled Nd_{1 ? x} Ba_xCoO_{3 ? δ} samples were two-phase in the concentration interval 0.3 ≤ x ≤ 0.46. One of the phases had O-orthorhombic lattice distortions (Pbnm) characteristic of ferromagnetic samples with x ≤ 0.3, and the other phase had tetragonal distortions (P4/mmm) characteristic of samples with x ≥ 0.46. Tetragonal distortions were caused by ordering of Nd³⁺ and Ba²⁺ ions. Samples with ordered neodymium and barium ions (Nd_{1 ? y} Ba_{1 + y} Co₂O_{6 ? γ} at ?0.08 ≤ y ≤ 0.08) experienced metal-dielectric and orientation magnetic phase transitions.     

Photoluminescence properties of heavily doped heterostructures based on (Al x Ga1 − x As)1 − y Si y solid solutions

It has been established that the photoluminescence spectra of heavily doped heterostructures based on Al _x Ga_{1 ? x} As)_{1 ? y} Si _y solid solutions exhibit quenching of the main exciton bands of Al _x Ga_{1 ? x} As ternary solid solutions and appearance of other maxima. The quenching of the main exciton bands can be associated both with the DX-center formation and with the change in the character of the band structure of (Al _x Ga_{1 ? x} As)_{1 ? y} Si _y quaternary solid solutions.     

Correlations between hyperfine parameters of Fe−Ni-B amorphous metals

The correlations between fluctuations in the⁵⁷Fe Mössbauer hyperfine parameters of the amorphous alloys (Fe_0.5Ni_0.5)_100?x B _x (x=16, 18, 20, 22 and 25 at%) and Fe_yNi_80?y B₂₀ (y=20, 25, 40 and 60 at%) have been determined. Values of the correlation between the fluctuations of the isomer shift and the fluctuations of magnetic hyperfine field, μ_N 〈ΔHΔδ〉 together with published values on similar amorphous systems are compared with correlation values for related crystalline phases. The lack of characteristic values suggests that the correlation values do not allow a link to be made between local structural units in amorphous alloy and crystalline phases.     

Structural and electronic properties of zincblende phase of Tl x Ga1−x As y P1−y quaternary alloys: First-principles study

Using the first-principles band-structure method, we have calculated the structural and electronic properties of zincblende TlAs, TlP, GaAs and GaP compounds and their new semiconductor Tl _x Ga_1?x As _y P_1?y quaternary alloys. Structural properties of these semiconductors are obtained with the Perdew and Wang local-density approximation. The lattice constants of Tl _x Ga_1?x As, Tl _x Ga_1?x P ternary and Tl _x Ga_1?x As _y P_1?y quaternary alloys were composed by Vegard’s law. Our investigation on the effect of the doping (Thallium and Arsenic) on lattice constants and band gap shows a non-linear dependence for Tl _x Ga_1?x As _y P_1?y quaternary alloys. The band gap of Tl _x Ga_1?x As _y P_1?y , E _g (x, y) concerned by the compositions x and y. To our awareness, there is no theoretical survey on Tl _x Ga_1?x As _y P_1?y quaternary alloys and needs experimental verification.     

Magnetic order in palladium-based heusler alloys: Part 2: Pd2MnIn1−ySby

Magnetization, susceptibility, X-ray and neutron-diffraction measurements have been on the Heusler alloy series Pd₂MnIn_1?ySb_y, for 0 < y < 1. All the alloys were chemically and magnetically ordered with a moment of ?4.2μ_B located at the Mn sites. Their magnetic structures change from antiferromagnetic fcc type 2 at the In rich end, to antiferromagnetic fcc type 3A and then to ferromagnetism as the Sb content is increased. The results closely parallel those already reported on the isostructural series Pd₂MnIn_1-xSn_x and Pd₂MnSn_1-xSb_x with the changes in magnetic structures o ccurring at the same conduction electron concentrations. The results strongly support the postulate that the exchange interactions in Heusler alloys are essentially dependent upon the conduction electron concentration. The correlation between the data and an indirect double resonance exchange coupling mechanism is discussed.