Vortex structure in BaFe2(As1 − x P x )2 single crystals

Single crystals of iron-containing Ba(FeAs)₂ superconductors doped with phosphorus have been studied. The vortex structure has been studied by means of the decoration method. Large domains of the triangular vortex structures have been observed in the phosphorus-doped single crystals of iron-containing superconductors. The effect of doping on pinning in iron-containing superconductors has been discussed.     

Concentration-dependent crystal structure,elastic constants and electronic structure of Zr x Ti1−x alloys under high pressure

The physical properties of ZrxTi1-x（x=0.0, 0.33, 0.5, 0.67, 0.75 and 1.00） alloys were sinmlated by virtual crystal approximation （VCA） methods which is generally used for disordered solid solutions modeling. The elastic constant, electronic structure and thermal Equation of state （EOS） of disor- dered ZrxTi1-x alloys under pressure are investigated by plane-wave pseudo-potentia1 method. Our simulations reveal increasement of variations of the calculated equilibrium volumes and decrease- ment of Bulk modulus as a function of the alloy compositions. Lattice parameters a and c of alloys with differentZr concentrations decrease linearly with pressure increasing, but the c/avalues are increasing as pressure increases, indicating no phase transitions under pressure from 0 GPa to 100 GPa. The elastic constants and the Bulk modulus to the Shear modulus ratios （B/G） indicate good ductility of Zr, Zr0.33 Ti0.67 Zr0.5Ti0.5, Zr0.75Ti0.25 and Ti, but the Zr0.67Ti0.33 alloy is brittle under 0 K and 0 GPa. The metallic behavior of these alloys was also proved by analyzing partial and total DOS.     

Local surrounding of vanadium atoms in CuCr1 − x V x S2: X-ray absorption spectroscopy analysis

In the present work local surrounding of vanadium atoms in layered copper-chromium disulfides CuCr_{1 ? x} V _x S₂ is investigated using high-resolution X-ray absorption spectroscopy above vanadium K-edge. Based on experimental and theoretically simulated spectra comparison it is shown that vanadium atoms replace chromium ones even at high concentrations of vanadium and that they are in 3+ oxidation state.     

Effect of local atomic phase separation in the x-ray absorption near edge structure spectroscopy of FeSexTe1−x

Ab initio X-ray absorption near edge structure (XANES) calculations for FeSe_xTe_1−x, using a structural model that combines FeSe and FeTe phases at the nanoscale, are compared with Fe K-edge XANES measurements in the “pre-edge” region. The important aspects of this model are (i) magnetic order in the FeTe phase; (ii) Se and Te atoms placed randomly in both FeSe and FeTe crystallographic positions and; (iii) the two distinct distances for Fe–Se and Fe–Te of the bulk phases. The calculated spectra reproduce the observed increase of spectral weight in the experiments on FeSe_xTe_1−x with Se concentration. This is consistent with an inhomogeneous local electronic structure of FeSe_xTe_1−x. Additionally, we have calculated projected electronic density of d-states for the Fe atom, revealing increased spectral weight in the “pre-edge” region of the XANES spectra, which correlates with the increase in Se concentration. The decrease of calculated Fe d-density of states for the Fermi level, N(ε_F), for high Te content is consistent with the suppression of superconductivity in the title system.     

Phase transitions in La1−x CaxMnO3−x/2 manganites

The crystal structure parameters and magnetic and electrical properties of La_1?x Ca_xMnO_3?x/2 reduced manganites with 0≤x≤0.5 are established. These investigations contribute to the understanding of magnetic interactions in manganites without Mn⁴⁺ ions. It is found that these manganites show a long-range antiferromagnetic order up to x=0.09 and transform into spin glasses at 0.09<x≤0.35. The compositions in the range 0.35<x≤0.5 show a strong increase in the spontaneous magnetization and critical point associated with the appearance of spontaneous magnetization and can therefore be viewed as inhomogenious ferromagnets. The magnetic and crystal structure peculiarities of La_0.5Ca_0.5MnO_2.75 are established by the neutron diffraction method. The strongly reduced samples show a large magnetoresistance below the point where the spontaneous magnetization develops. The magnetic phase diagram of La_1?x Ca_xMnO_3?x/2 is established by magnetization measurements. The magnetic behavior is interpreted assuming that the Mn³⁺-O-Mn³⁺ magnetic interaction is anisotropic (positive-negative) in the orbitally ordered phase and isotropic (positive) in the orbitally disordered phase. Introduction of the oxygen vacancies changes the magnetic interaction sign from positive to negative, thereby leading to a spin glass state in strongly reduced compounds. The results obtained reveal unusual features of strongly reduced manganites such as a large ferromagnetic component, a high magnetic ordering temperature, and a large magnetoresistance despite the absence of Mn³⁺-Mn⁴⁺ pairs. In order to explain these results, the oxygen vacancies are supposed to be ordered.     

Electron transport in Ti1−xNbxO2 solid solutions with x < 4%

By means of conductivity and thermopower measurements in niobium doped rutile TiO₂, we have analysed the electron transport. A previous study made in TiO₂ pointed out the existence of a large polaron transport. Nevertheless, some uncertainties remain as the precise dependence of the mobility with the temperature. The Nb doped TiU₂ studied in the present paper brings some new information: the mobility could follow an optical phonon scattering law. The FHIP model seems to be the more appropriate model to describe the mobility but the lack of theoretical calculation of transport energy does not allow definitive conclusions about the physical processes which occur in the intermediate range of temperature. However, we can say that the ionization activation energy of Nb is found to be close to 14 eV.Moreover, it is found that the localized electrons become mobile by hopping with increasing niobium content. This yields a conductivity composed by electrons which move in the 3d Ti band and localized electrons which hop from site to site. This hopping component and the number of localized electrons increase with niobium content. This leads to the disappearance of the band motion in the conductivity.     

Luminescence in Ca1−xYxF2+x

Some compounds with fluorite structures in the system CaF₂–YF₃ were prepared by precipitation followed by thermal annealing at 1000 °C. Photoluminescence spectra of Ce³⁺ and Eu²⁺ were studied. In this host, Ce³⁺ exhibits PL, which is totally different from that observed for the constituent fluorides. Eu²⁺ emission, on the other hand, is almost the same as that for CaF₂. The changes are explained in terms of the defect structure of Ca_1?xY_xF_2+x.     

Negatron effects in CdSe1 − x Te x and ZnS1−x Se x films

Various negatron effects in films of alloys of II–VI compounds deposited from solutions as a function of the deposition mode and heat treatment are studied. It is found that the negative photocapacitance effect, which was first discovered in ZnS_1?x Se _x films, and the slowly relaxing negative photoelectric effects, which are caused by the transition of electrons located in a nanoscale surface layer from the shallow energy levels of trapping centers to deeper levels with a lower polarizability and by the presence of nanoscale clusters in these materials, which play the role of a “reservoir” for minority charge carriers, occur according to a single mechanism. A model to explain the basic laws of negative photoconductivity in CdSe_{1 ? x} Te _x films deposited from a solution is proposed. Negative residual conductivity is explained in terms of double-barrier relief model, while negative differential photoconductivity is attributed to the presence of nanoscale electric domains.     

Mechanism of charge transfer in injection photodiodes based on the In-n +-CdS-n-CdS x Te1 − x -p-Zn x Cd1 − x Te-Mo structure

Photosensitive In-n ⁺-CdS-n-CdS _x Te_{1 ? x} -p-Zn _x Cd_{1 ? x} Te-Mo film structures based on II–VI semiconductors and operating in the wavelength range λ = 0.490–0.855 μm have been fabricated. These structures in the forward current direction at high bias voltages operate as injection photodiodes and exhibit a high integrated sensitivity S _int ≈ 700 A/lm (14500 A/W) at room temperature. It has been found that, in the fabricated structures at low illuminance levels and low forward bias voltages (0.05–0.50 V), the diffusion and drift fluxes of nonequilibrium charge carriers are directed toward each other. This effect leads to the sign reversal of the photocurrent, which makes it possible on the basis of these structures to create selective photodetectors with injection properties. In the reverse direction of the photocurrent, these structures also operate in the mode of internal amplification of the primary photocurrent, but the integrated sensitivity in this mode is considerably less than that in the forward current direction.     

Impurity absorption in indium-doped Pb1−xSnxTe

Optical absorption spectra of indium doped Pb_1−xSn_xTe (x = 0–0.22) have been measured at 90 and 300 K. It was found that doping gives rise to a broad absorption band with its maximum at photon energies much greater than the thermal ionization energy of the indium impurity. The energetic position and the shape of impurity absorption band change little with alloy composition, but the band broadens substantially with temperature. The results are explained by a strong lattice relaxation around the indium impurity.     

High-Moment-Low-Moment Description of Magnetovolume Effects in Y(Mn x Al 1− x ) 2 and Y x Sc 1− x Mn 2

Based on the assumption of a high-moment-low-moment instability of the Mn atom, we construct a simple spin model with coupled magnetic and spatial degrees of freedom to describe the Laves phase systems Y(Mn x Al 1 m x ) 2 and Y x Sc 1 m x Mn 2 . Monte Carlo simulations of this model qualitatively reproduce anomalies observed in these materials like a discontinuous giant volume change and anomalous thermal expansion behavior.     

Superconductivity and magnetism in Y1−x Ca x Sr2GaCu2O7−δ

Samples of Y_1–x Ca _x Sr₂GaCu₂O_7– (x=0, 0.4) doped with⁵⁷Fe, prepared under various oxygen pressures, have been studied by magnetometry and Mössbauer spectroscopy. Most of the iron ions (Fe³⁺) enter the Ga(Cu(1)) site. For thex=0 sample, the Mössbauer spectra of the iron nuclei in the Cu(2) sublattice display magnetic order of Cu,T _N=370 K. The iron ions in the Ga site display magnetic order only at low temperatures. At temperatures above 90 K, these iron ions display a pure quadrupole doublet Mössbauer spectrum. The samplex=0.4 also displays magnetic order of the Cu(2) site,T _N370 K. A sharp drop in the hyperfine field is observed atT _N, probably associated with a first-order phase transition or two-dimensional ordering. The iron nuclei in the Ga site display paramagnetic long spin relaxation time phenomena at 4.2 K. Thex=0.4 sample prepared under 110 atm oxygen pressure, displays superconductivity,T _c50 K. The Mössbauer spectra give evidence of the presence of two phases. One displays magnetic order, the other is paramagnetic, the last is probably associated with the superconducting phase.     

Electronic structure and excitonic effects in Sm1−x R x S prior to collapse

X-ray photoemission spectra of Sm_1–x R _x S (R=Ca, Y, Gd and Th) in the range prior to collapse (black phase) exhibit only divalent samarium components. The 4f final state energy is found independent of lattice constant, but sensitive to 5d band screening. The fully screened final state 4f ⁵5d,⁶ H, which is also involved in the interconfiguration fluctuation process, is found to reach the Fermi energy in a gradual insulator to metal transition. The results are interpreted to show that the modifications of the band structure which give rise to the phase transition are confined to the 5d level.     

Superconductivity, Seebeck coefficient, and band structure transformation in Y1−x CaxBa2Cu3−x CoxOy (x=0–0.3)

The temperature dependences of the resistivity and of the Seebeck coefficient S is studied in three series of Y_1−x Ca_xBa₂Cu_3−x Co_xO_y samples (x=0–0.3) differing in oxygen content. It was found that the critical temperature decreases for y≈7.0, and S(T=300 K) increases with doping, whereas oxygen deficiency results in a nonmonotonic variation of these quantities with increasing x. The band structure parameters have been determined from an analysis of the S(T) relations using a phenomenological theory of electron transport. It was found that an increase in x results in a gradual increase in band asymmetry, which is caused by calcium-induced creation of additional states in the band responsible for conduction in the normal phase. An analysis has shown that high impurity concentrations in oxygen-deficient Y_1−x Ca_xBa₂Cu_3−x Co_xO_y samples bring about an additional ordering of the structure, which may be caused by formation of a cobalt superlattice. It has also been shown that, in the case of Ca and Co codoping, the dependence of critical temperature on effective conduction-band width coincides with the universal correlation relation observed in the YBa₂Cu₃O_y system with single substitutions in various lattice sites. Fiz. Tverd. Tela (St. Petersburg) 41, 1363–1371 (August 1999)     

Martensitic transformation in La1−x Yb x Ag1−y In y

The structural phase transformation of La_1–x Yb _x Ag_1–y In _y has been studied on single crystals by low temperature Laue-technique. The martensitic transformation in this pseudobinary intermetallic alloy has to be characterized as a weak orthorhtombic distortion of a single I centered unit cell (c/a1.04;a/b1.006) and a collective slipping or twinning of these cells that gives a fixed orientation between the remaining cubic room temperature structure and the martensitic phase. Above room temperature exists an order-disorder transformation from the CsCl-B2 structure to an at room temperature metastable W-A2 structure. There is no dramatic change in the physical properties of this alloy by substituting La by Yb, so we may approximate our results to LaAg_1–y In _y .This paper is dedicated to Prof. Dr. S. Methfessel on the occasion of his 60^th birthday     

Concentration Dependence of the Electric Field Gradient in PbZr1−x Ti x O3 Ceramics

The concentration dependence of the electric field gradient (EFG) in PZT ceramics was studied by Time Differential Perturbed Angular Correlations (PAC) using the ¹⁸¹Ta radioactive probe in samples with x=0.3, 0.5 and 0.8 at room temperature. This phase presents two sites, probably related to defects close to probes, caused by oxygen and lead vacancies. We can also state that both the paraelectric and ferroelectric phases of these systems have two sites with different characteristics and that the high-frequency quadrupolar frequency site presents the highest fraction. The concentration dependence revealed by our results is discussed by comparing the latter with previous PAC studies. This revised version was published online in September 2006 with corrections to the Cover Date.     

Magnetic properties and structure of Fe2 − x Mg x CrO4 chromites

The structural and magnetic properties of Fe_{2 ? x} Mg _x CrO₄ chromite synthesized by the ceramic method to receive analogs of natural minerals and to solve the rock magnetism problems are investigated. The dependences of cubic-lattice parameters and magnetic characteristics on composition, with slight deviation from linearity, are obtained. It is established in the course of experiments related to the partial thermal remanent magnetization in weak fields that some compositions are characterized by self-reversal under sample heating to 600°C in air. It is suggested that the self-reversal is caused by a nonuniform distribution of cations in chromite structure and phase transformation under oxidation.     

LaAg x In1−x

The structures of LaAg _x In_1–x alloys withx=0.75, 0.89 are determined by neutron diffraction on powder samples. The space group isI4/mmm (D _4h ^/17 ). The lattice constants splitting, the order parameter and the mean square vibrational amplitudes of the atoms are given in the temperature range from 20 KT300 K.