Effect of Oxygen Nonstoichiometry on the Magnetic Phase Transitions in Frustrated YBaCo<Subscript>4</Subscript>O<Subscript>7 + <Emphasis Type="Italic">x</Emphasis></Subscript> (<Emphasis Type="Italic">x</Emphasis> = 0, 0.1, 0.2) Cobaltites

The structural and elastic characteristics of YBaCo₄O_{7 + x} (x = 0, 0.1, 0.2) cobaltites synthesized by various technologies and having various excess oxygen contents x are experimentally studied. The distortion of the crystal structure in stoichiometric samples is found to remove frustrations and to bring about a longrange magnetic order in the cobalt subsystem, which is accompanied by well-pronounced anomalies in the elastic properties in the temperature range of a magnetic phase transition T_N. At a weak deviation from oxygen stoichiometry, the structure distortion disappears, frustrations are retained, and the further development of a long-range magnetic order is hindered. As a result of an absent long-range magnetic order, the anomalies of the elastic characteristics at T_N smooth rapidly and disappear. This finding points to the suppression of structural and magnetic transitions in nonstoichiometric samples and to the conservation of only short-range correlations of order parameter. It is found that nonstoichiometric samples can be separated into two phases depending on the ceramic synthesis conditions.     

Electronic Structure and Magnetic Phase Transition in Helicoidal Fe<Subscript>1 - <Emphasis Type="Italic">x</Emphasis></Subscript>Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si Ferromagnets

LSDA + U + SO calculations of the electronic structure of helicoidal Fe_{1 - x}Co _x Si ferromagnets within the virtual crystal approximation have been supplemented with the consideration of the Dzyaloshinski-Moriya interaction and ferromagnetic fluctuations of the spin density of collective d electrons with the Hubbard interactions at Fe and Co atoms randomly distributed over sites. The magnetic-state equation in the developed model describes helicoidal ferromagnetism and its disappearance accompanied by the occurrence of a maximum of uniform magnetic susceptibility at temperature T _C and chiral fluctuations of the local magnetization at T > T _C . The reasons why the magnetic contribution to the specific heat at the magnetic phase transition changes monotonically and the volume coefficient of thermal expansion (VCTE) at low temperatures is negative and has a wide minimum near T _C have been investigated. It is shown that the VCTE changes sign when passing to the paramagnetic state (at temperature T _S ).     

Magnetic M<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>@N-C as heterogeneous catalysts for the catalytic oxidation of aniline solution with sulfate radicals

Metal nanoparticles have been combined with magnet metal–organic frameworks (MOFs) to afford new materials that demonstrate an efficient catalytic degradation, high stability, and excellent reusability in areas of catalysis because of their exceptionally high surface areas and structural diversity. Magnetic M _x O _y @N-C (M = Fe, Co, Mn) nanocrystals were formed on nitrogen-doped carbon surface by using 8-hydroxyquinoline as a C/N precursor. The Co@N-C, MnO@N-C, and Fe/Fe₂O₃@N-C catalysts were characterized by X-ray diffraction (XRD), Raman, scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), N₂ adsorption/desorption, and X-ray photoelectron spectroscopy (XPS). The catalytic performances of catalysts were thoroughly investigated in the oxidation of aniline solution based on sulfate radicals (SO₄ ^?.) toward Fenton-like reaction. Magnetic M _x O _y @N-C exhibits an unexpectedly high catalytic activity in the degradation of aniline in water. A high magnetic M _x O _y @N-C catalytic activity was observed after the evaluation by aniline degradation in water. Aniline degradation was found to follow the first-order kinetics, and as a result, various metals significantly affected the structures and performances of the catalysts, and their catalytic activity followed the order of Co > Mn > Fe. The nanoparticles displayed good magnetic separation under the magnetic field.

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X-ray spectra and specific features of the structure of lithium-sodium cobaltite Li<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Na<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>CoO<Subscript>2</Subscript>

The electronic structure and specific features of the structure of nonstoichiometric cobaltite Li _x Na _y CoO₂ (x = 0.42, y = 0.36) have been studied comprehensively. The calculated multiplet for the lowspin state of the Co³⁺ ion agrees with the experimental spectra. It has been established using X-ray absorption spectra measured in the total photoelectric effect yield and total fluorescence yield modes that the Li _x Na _y CoO₂ cobaltite is stoichiometric with respect to the alkali metal near its surface and is defective inside. It has been demonstrated that the charge compensation in the case of an alkali metal deficit in LixNayCoO₂ is due to holes in O 2p states.     

Features of the low-temperature specific heat in underdoped YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>6 + <Emphasis Type="Italic">x</Emphasis></Subscript> single crystals

The behavior of the low-temperature specific heat C(T) for YBa₂Cu₃O_{6 + x} single crystals with the doping level corresponding to the normal phase has been studied by the relaxation technique at different values of the applied magnetic field. It has been found that the C(T)/T plot exhibits such an anomaly as a steep increase with decreasing temperature from T about 4 K down to T ≤ 2 K (the minimum temperature value accessible in the experiment). The applied magnetic field as high as 9 T inverts this anomaly and leads to a sharp drop in C(T)/T during cooling within the same temperature range. A model involving the Schottky-type centers formulated in this work and the data on spin correlation functions has allowed us to calculate the temperature dependence of the specific heat, which fits the experimental curves quite well.     

Discrete breathers in biatomic crystals of <Emphasis Type="Italic">AB</Emphasis> and <Emphasis Type="Italic">A</Emphasis><Subscript>3</Subscript><Emphasis Type="Italic">B</Emphasis> composition

The conditions for the existence of discrete breathers (DBs) in biatomic crystals of AB and A ₃ B composition are established, and their properties are studied by means of molecular mechanics using the examples of CuAu and Pt₃Al, respectively. The phonon spectra of the crystals are analyzed, and a gap in the phonon spectrum of CuAu is obtained via considerable homogeneous elastic strain. There is a gap in the phonon spectrum of the Pt₃Al crystal at zero strain, due to the considerable difference between the atomic weights of its components. The frequencies at which discrete breathers can exist in the considered crystals are determined. The energy localized on different types of DBs is estimated. The propagation of a current pulse through Pt₃Al resulting in the excitation of DBs with mild nonlinearity is simulated.     

Fermion Localization on the <Emphasis Type="Italic">orbifold</Emphasis><Emphasis Type="Italic">S</Emphasis><Subscript>1</Subscript>/<Emphasis Type="Italic">Z</Emphasis><Subscript>2</Subscript>

The hierarchical structure of fermion masses of the Standard Model is explained in split fermion models by localizing the fermions at different points in an extra dimension. We consider split fermion models with two bulk scalars compactified on an orbifold. In the static case we find analytical expression for the localizer. We also address the issue of stability of the localizer. We also find exact solutions for the fermion zero modes. We explore the parameter space of the model. We find ample opportunity for construction of phenomenologically viable theories exist.     

Electrical properties of a-Ge<Subscript>x</Subscript>Se<Subscript>100-<Emphasis Type="Italic">x</Emphasis></Subscript>

In general, the conductivity in chalcogenide glasses at higher temperatures is dominated by band conduction (DC conduction). But, at lower temperatures, hopping conduction dominates over band conduction. A study at lower temperature can, eventually, provide useful information about the conduction mechanism and the defect states in the material. Therefore, the study of electrical properties of Ge_xSe_100-x in the lower temperature region (room temperature) is interesting. Temperature and frequency dependence of Ge_xSe_{100-x (x} = 15, 20 and 25) have been studied over different range of temperatures and frequencies. An agreement between experimental and theoretical results suggested that the behaviour of germanium selenium system (Ge_xSe_100-x ) have been successfully explained by correlated barrier hopping (CBH) model.     

Formation energy and geometry of vacancies at BN and B<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>N<Subscript><Emphasis Type="Italic">z</Emphasis></Subscript> nanocones

We have studied, through ab initio calculations, the stability of 60° and 120° boron nitride nanocones containing mono and multiple boron, nitrogen, and carbon vacancies. The stability of the vacancies as well as the structures reconstruction mechanism have been investigated. Our results indicate that the stability of the cones presenting such vacancies strongly depends on growth conditions. We have also found that multiple vacancies display formation energies that are comparable, and in some cases, even lower to the ones presented by monovacancies. Therefore, our results allow us to conclude that the formation energy does not depend on the vacancy size. Finally, for 120° cones, we can verify that the stability of the boron and nitrogen vacancies depends on the position where the atom has been removed.     

Anomalous temperature dependence of photoluminescence in GeO<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> films and GeO<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>/SiO<Subscript>2</Subscript> nano-heterostructures

The optical properties of GeO _x film and GeO _x /SiO₂ multilayer heterostructures (with thickness of GeO _x layers down to 1 nm) were studied with the use of Raman scattering and infrared spectroscopy, ellipsometry and photoluminescence spectroscopy including temperature dependence of photoluminescence. The observed photoluminescence is related to defect (dangling bonds) in GeO _x and interface defects for the case of GeO _x /SiO₂ multilayer heterostructures. From analysis of temperature dependence of photoluminescence intensity, it was found that rate of nonradiative transitions in GeO _x film has Berthelot type, but anomalous deviations from Berthelot type temperature dependence were observed in temperature dependences of photoluminescence intensities for GeO _x /SiO₂ multilayer heterostructures.     

Physical properties,crystal and magnetic structure of layered Fe<Subscript>1.11</Subscript>Te<Subscript>1-</Subscript><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Se<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> superconductors

The physical and structural properties of Fe_1.11Te and Fe_1.11Te_0.5Se_0.5 have been investigated by means of X-ray and neutron diffraction as well as physical property measurements. For the Fe_1.11Te compound, the structure distortion from a tetragonal to monoclinic phase takes place at 64 K accompanied with the onset of antiferromagnetic order upon cooling. The magnetic structure of the monoclinic phase was confirmed to be of antiferromagnetic configuration with a propagation vector k = (1/2, 0, 1/2) based on Rietveld refinement of neutron powder diffraction data. The structural/magnetic transitions are also clearly visible in magnetic, electronic and thermodynamic measurements. For superconducting Fe_1.11Te_0.5Se_0.5 compound, the superconducting transition with T _c = 13.4 K is observed in the resistivity and ac susceptibility measurements. The upper critical field H _c2 is obtained by measuring the resistivity under different magnetic fields. The Kim’s critical state model is adopted to analyze the temperature dependence of the ac susceptibility and the intergranular critical current density is calculated as a function of both field amplitude and temperature. Neutron diffraction results show that Fe_1.11Te_0.5Se_0.5 crystalizes in tetragonal structure at 300 K as in the parent compound Fe_1.11Te and no structural distortion is detected upon cooling to 2 K. However an anisotropic thermal expansion anomaly is observed around 100 K.     

The <Emphasis Type="Italic">N</Emphasis> = <Emphasis Type="Italic">Z</Emphasis><Emphasis Type="Italic">f</Emphasis><Subscript>7/2</Subscript>-shell nuclei: Experimental highlights

During the last decade, as the experimental and computing means and techniques have rapidly evolved, the experimental investigation of the f_7/2-shell nuclei has gained renewed interest. TheN = Z nuclei studied with the GASP array range from ⁴⁴Ti to ⁵²Fe. The results extended the knowledge of their structure up to high spins and excitation energies, above band terminations, where the competition with the charged-particles emission was initially thought to obscure the possibility of gamma-ray spectroscopy investigation. The paper highlights some of the most outstanding properties of these nuclei such as the nuclear rotation and backbending effects, band termination states, yrast traps, non-natural parity bands, competition between T = 0 and T = 1 pn pairing modes.Received: 30 October 2002, Published online: 16 March 2004PACS: 21.10.-k Properties of nuclei; nuclear energy levels - 21.60.Cs Shell model - 23.20.Lv transitions and level energies - 27.40. + z C.A. Ur: On leave from NIPNE Bucharest, Romania     

Dynamics of the first-order magnetostructural transition in Gd<Subscript>5</Subscript>(Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript>1-<Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>4</Subscript>

For a given crystal structure, say body-centred-cubic, the many-body Hamiltonian H in which nuclear and electron motions are to be treated from the outset on the same footing, has parameters, for the elements, which can be classified as (i) atomic mass M, (ii) atomic number Z, characterizing the external potential in which electrons move, and (iii) bcc lattice spacing, or equivalently one can utilize atomic volume, . Since the thermodynamic quantities can be determined from H, we conclude that T _c , the superconducting transition temperature, when it is non-zero, may be formally expressed as T _c = . One piece of evidence in support is that, in an atomic number vs. atomic volume graph, the superconducting elements lie in a well defined region. Two other relevant points are that (a) T _c is related by BCS theory, though not simply, to the Debye temperature, which in turn is calculable from the elastic constants C ₁₁, C ₁₂, and C ₄₄, the atomic weight and the atomic volume, and (b) T _c for five bcc transition metals is linear in the Cauchy deviation C ^* = (C ₁₂ - C ₄₄ )/(C ₁₂ + C ₄₄ ). Finally, via elastic constants, mass density and atomic volume, a correlation between C ^* and the Debye temperature is established for the five bcc transition elements.Received: 13 May 2004, Published online: 23 July 2004PACS: 74.62.-c Transition temperature variations - 74.70.Ad Metals; alloys and binary compounds     

<Emphasis Type="Italic">SU</Emphasis>(3)-Instantons and <Emphasis Type="Italic">G</Emphasis><Subscript>2</Subscript>,<Emphasis Type="Italic">Spin</Emphasis>(7)-Heterotic String Solitons

Necessary and sufficient conditions to the existence of a hermitian connection with totally skew-symmetric torsion and holonomy contained in SU(3) are given. A formula for the Riemannian scalar curvature is obtained. Non-compact solution to the supergravity-type I equations of motion with non-zero flux and non-constant dilaton is found in dimension 6. Non-conformally flat non-compact solutions to the supergravity-type I equations of motion with non-zero flux and non-constant dilaton are found in dimensions 7 and 8. A Riemannian metric with holonomy contained in G₂ arises from our considerations and Hitchin’s flow equations, which seems to be new. Compact examples of SU(3),G₂ and Spin(7) instanton satisfying the anomaly cancellation conditions are presented.     

Multiband tight-binding theory of disordered A<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>B<Subscript>1-</Subscript><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C semiconductor quantum dots

Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a broad range of applications, as their spectrum and thus their excitation gap can be tailored by variation of their size. Additionally, nanocrystals of the type A _x B_{1- x} C can be realized by alloying of two pure compound semiconductor materials AC and BC, which allows for a continuous tuning of their absorption and emission spectrum with the concentration x. We use the single-particle energies and wave functions calculated from a multiband sp ³ empirical tight-binding model in combination with the configuration interaction scheme to calculate the optical properties of Cd _x Zn_{1- x} Se nanocrystals with a spherical shape. In contrast to common mean-field approaches like the virtual crystal approximation (VCA), we treat the disorder on a microscopic level by taking into account a finite number of realizations for each size and concentration. We then compare the results for the optical properties with recent experimental data and calculate the optical bowing coefficient for further sizes.     

Magnetorefractive effect and giant magnetoresistance in Fe(<Emphasis Type="Italic">t</Emphasis><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)/Cr superlattices

The magnetorefractive effect in Fe(t _x , Å)/Cr(10 Å) samples grown by molecular-beam epitaxy with a variable thickness of the iron layer (superlattices, cluster-layered nanostructures) has been studied in the IR region (λ = 2–13 µm) in s and p polarizations of light. The magnetoresistive effect in a dc magnetic field, H ≤ 32 kOe, has been measured on the same samples. The iron layer thickness required for the magnetorefractive response to appear has been found to be t _Fe ≥ 3 Å. The correlation between the magnitude of the magnetorefractive effect in the mid-IR region and magnetoresistance has been discussed.     

S/N dual-doped carbon nanosheets decorated with Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> nanoparticles as high-performance anodes for lithium-ion batteries

In this work, we have successfully synthesized the S/N dual-doped carbon nanosheets which are strongly coupled with Co _x O _y nanoparticles (SNCC) by calcinating cobalt/dithizone complex precursor following KOH activation. The SNCC as anode shows the wonderful charge capacity of 1200 mAh g^?1 after 400th cycles at 1000 mA g^?1 for Li-ion storage. The superior electrochemical properties illustrate that the SNCC can be a candidate for high-performance anode material of lithium-ion batteries (LIBs) because of the facile preparation method and excellent performance. Significantly, we also discuss the mechanism for the SNCC from the strong synergistic effect perspective.     

Electrical and optical properties of pulse plated CdS<Subscript><Emphasis Type="BoldItalic">x</Emphasis></Subscript>Te<Subscript>1-<Emphasis Type="BoldItalic">x</Emphasis></Subscript> films

Thin films of CdS_xTe_1-x were deposited by the pulse electrodeposition technique using cadmium sulfate, sodium thiosulfate, and tellurium dioxide on titanium and conducting glass substrates. Structural studies indicated the formation of polycrystalline films possessing hexagonal structure. The resistivity varies from 53 Ω cm to 8 Ω cm as the stochiometric coefficient “x” value decreases from 1 to 0. The carrier concentration increases with CdTe concentration. It is observed that as the post-heat treatment temperature increases, the photosensitivity also increases. It is observed that a post-heat treatment temperature of 550 °C results in high photosensitivity as well as low light resistance. The optical constants, refractive index (n) and extinction coefficient (k) were evaluated from the transmission spectra of the films of different composition.