Anomalous magnetoresistivity of the superconducting Zr<Subscript>80</Subscript>Pt<Subscript>20</Subscript> system in quasicrystalline and amorphous states

The binary icosahedral Zr₈₀Pt₂₀ system has been synthesized during the crystallization of an initially amorphous alloy fabricated by melt quenching on the surface of a rotating copper wheel. The temperature and field dependences of the electrical resistivity and magnetoresistivity of the icosahedral and amorphous phases are studied and compared in a temperature range of 1.5–300 K and magnetic fields up to 8 T. Superconductivity has been detected for the first time in the icosahedral and amorphous phases of the Zr₈₀Pt₂₀ system. For both phases, the magnetoresistivity is positive and depends anomalously on the magnetic field. The anomalous behavior of magnetoresistivity is satisfactorily described by the theory of weak localization and electron-electron interaction in three-dimensional disordered systems, which takes into account electron scattering by superconducting fluctuations. The absolute values and temperature dependences of the electron-electron interaction constant and the times of inelastic scattering of conduction electrons are estimated for the icosahedral and amorphous phases of this binary system.     

Vibrational and electronic characteristics of Zr<Subscript>70</Subscript>Pd<Subscript>30</Subscript>, Zr<Subscript>80</Subscript>Pt<Subscript>20</Subscript> icosahedral quasicrystals and their amorphous Counterparts

The heat capacity of Zr₇₀Pd₃₀ and Zr₈₀Pt₂₀ icosahedral quasicrystals and their amorphous counterparts is studied in the temperature range 1.5–500 K in order to establish a correlation between the short-range atomic order and the physical properties of these compounds. A comparison of the data made it possible to reveal changes in the vibrational spectra within the low-and high-energy ranges, as well as in the density of states, superconducting characteristics, electron-phonon interaction, and anharmonicity of the lattice thermal vibrations and to calculate the main average frequencies (moments) characterizing the vibrational spectra. The lower superconducting transition temperature T _c of the quasicrystals as compared to that of the amorphous counterparts can be associated with the decrease in the density of states on the Fermi surface, the hardening of the phonon spectrum, and the weakening of the electron-phonon coupling.     

Cluster formation in LiNi<Subscript>0.4</Subscript>Fe<Subscript>0.6</Subscript>O<Subscript>2</Subscript>

The structure of an LiNi_0.4Fe_0.6O₂ cubic solid solution is determined using magnetic measurements and electron diffraction. It is found that this solid solution has a microinhomogeneous structure due to the formation of superparamagnetic clusters. The electron diffraction analysis of LiNi_0.4Fe_0.6O₂ samples has revealed diffuse scattering characteristic of the substitutional short-range order in ordered solid solutions with a B1-type structure. It is shown that the short-range order is associated with the LiNiO₂-type rhombohedral superstructure (space group \(R\bar 3m\)), i.e., with the redistribution of lithium and nickel atoms in the (111)_B1 alternating planes. The short-range order is observed in regions with a nickel content higher than the mean nickel content corresponding to the macroscopic composition.     

Perpendicular magnetic anisotropy in single-crystal Co<Subscript>50</Subscript>Pt<Subscript>50</Subscript>/MgO(100) films

The crystal structure and hysteretic magnetic properties of equiatomic single-crystal CoPt films applied on MgO substrates by magnetron sputtering, as well as modification of these properties by thermal annealing, are studied. Heat-treated films of thickness in the range 2<d≤16 nm exhibit perpendicular magnetic anisotropy. A correlation between the crystalline anisotropy constant of the CoPt films and the order parameter of the LI₀ superstructure in these alloys is found. The effect of a single-crystalline MgO substrate on the structure and magnetic properties of equiatomic CoPt films is revealed.     

Quenching of the Haldane gap in LiVSi<Subscript>2</Subscript>O<Subscript>6</Subscript> and related compounds

We report results of susceptibility χ and ⁷Li NMR measurements on LiVSi₂O₆. The temperature dependence of the magnetic susceptibility χ(T) exhibits a broad maximum, typical for low-dimensional magnetic systems. Quantitatively it is in agreement with the expectation for an S=1 spin chain, represented by the structural arrangement of V ions. The NMR results indicate antiferromagnetic ordering below T_N=24 K. The intra- and interchain coupling J and J_p for LiVSi₂O₆, and also for its sister compounds LiVGe₂O₆, NaVSi₂O₆ and NaVGe₂O₆, are obtained via a modified random phase approximation which takes into account results of quantum Monte Carlo calculations. While J_p is almost constant across the series, J varies by a factor of 5, decreasing with increasing lattice constant along the chain direction. The comparison between experimental and theoretical susceptibility data suggests the presence of an easy-axis magnetic anisotropy, which explains the formation of an energy gap in the magnetic excitation spectrum below T_N, indicated by the variation of the NMR spin-lattice relaxation rate at T≪T_N.     

Effect of change in structural and magnetic states of Pt<Subscript>74.1</Subscript>Fe<Subscript>25.9</Subscript> alloy on its optical properties

The effect of atomic disordering on the optical properties of Pt_74.1Fe_25.9 alloy, whose stoichiometry is close to that of Pt₃Fe, has been investigated. The optical constants of ordered and plastically deformed alloys, which are, respectively, in the paramagnetic and ferromagnetic states, have been measured by the polarimetric method. The frequency dispersions of the permittivity, optical conductivity, and reflectivity, as well as the microscopic characteristics of conduction electrons (plasma and relaxation frequencies), have been calculated. The energy dependences of the optical conductivity are compared to the calculated energy-band structure of atomically ordered and disordered Pt₃Fe compounds.     

Irradiation of amorphous Ta<Subscript>42</Subscript>Si<Subscript>13</Subscript>N<Subscript>45</Subscript> film with a femtosecond laser pulse

Films of 260 nm thickness, with atomic composition Ta₄₂Si₁₃N₄₅, on 4″ silicon wafers, have been irradiated in air with single laser pulses of 200 femtoseconds duration and 800 nm wave length. As sputter-deposited, the films are structurally amorphous. A laterally truncated Gaussian beam with a near-uniform fluence of ∼0.6 J/cm² incident normally on such a film ablates 23 nm of the film. Cross-sectional transmission electron micrographs show that the surface of the remaining film is smooth and flat on a long-range scale, but contains densely distributed sharp nanoprotrusions that sometimes surpass the height of the original surface. Dark field micrographs of the remaining material show no nanograins. Neither does glancing angle X-ray diffraction with a beam illuminating many diffraction spots. By all evidence, the remaining film remains amorphous after the pulsed femtosecond irradiation.     

Effect of severe plastic deformation on the properties of the Pt<Subscript>3</Subscript>Fe antiferromagnet

The effect of atomic disordering on the magnetic, electrical, and optical properties of the Pt_74.1Fe_25.9alloy close in composition to the stoichiometric Pt₃Fe alloy has been studied. It has been shown that, as a result of severe plastic torsional deformation under high pressure, the alloy transforms from the antiferromagnetic state (T _N=164 K) into the ferromagnetic state (T _C≈400 K). In this case, the residual electrical resistivity increases by a factor of more than two and the thermopower changes its sign from positive to negative. The results of the studies of the optical conductivity agree with the previously calculated electronic spectra of the atomically ordered and disordered Pt₃Fe alloys in the range of interband transitions and with the obtained data on the electrical properties in the infrared range.     

Molecular dynamics study of the reaction C<Subscript>3</Subscript> + H <Subscript>3</Subscript><Superscript>+</Superscript>

Both a quantum molecular dynamic method and high level ab initio calculations (MP2, CCSD(T)) have been used to investigate the mechanism of the C₃ + H₃⁺ reaction, which is part of the ion chemistry in interstellar clouds. Furthermore statistic initial orientations in collision simulations have been set up in order to determinate reaction cross-sections and rate coefficients of all occurring reaction channels. Our analysis shows that the revealed mechanism is strongly determined by dynamic effects.     

Structural disorder in the paraelectric phase of the Fe<Subscript>3</Subscript>B<Subscript>7</Subscript>O<Subscript>13</Subscript>Br boracite

A structural model of the cubic paraelectric phase of a Fe₃B₇O₁₃Br crystal belonging to the boracite family has been developed using the data obtained by single-crystal X-ray diffraction with due regard for the results of extended X-ray absorption fine structure (EXAFS) spectroscopy. It has been shown that the best agreement between the data obtained by these two methods is achieved within a model assuming a disorder in the arrangement of both the Fe and Br atoms and a high degree of correlation of their displacements. It has been found that, during the phase transition from the rhombohedral ferroelectric phase to the cubic paraelectric phase, no significant transformation of the structure is observed on a local level. In this case, a change in the macroscopic symmetry occurs predominantly as a result of the variation in the set of possible spatial orientations of stable structural fragments, which is characteristic of order-disorder phase transitions.     

Cluster <Emphasis Type="Italic">ab initio</Emphasis> calculations for the C<Subscript>60</Subscript>F<Subscript>24</Subscript>, C<Subscript>60</Subscript>Cl<Subscript>24</Subscript>, and C<Subscript>60</Subscript>Br<Subscript>24</Subscript> halofullerenes

This paper reports on ab initio cluster calculations of the equilibrium geometry, electronic structure, and vibrational properties of the C₆₀, C₆₀F₂₄, C₆₀Cl₂₄, C₆₀Br₂₄ molecules.     

Specific heat of La(Fe<Subscript>0.873</Subscript>Co<Subscript>0.007</Subscript>Al<Subscript>0.12</Subscript>)<Subscript>13</Subscript> compound in antiferromagnetic and ferromagnetic states

The low-temperature specific heat C _p of La(Fe_0.873Co_0.007Al_0.12)₁₃ compound has been measured in two states: (i) antiferromagnetic (AFM) with a Néel temperature of T _N = 192 K and (ii) ferromagnetic (FM). The FM order appears at T = 4.2 K in a sample exposed to an external magnetic field with induction B _C ≥ 2.5 T and is retained for a long time in a zero field at temperatures up to T*_C = 23 K. The coefficient γ_FM in the low-temperature specific heat C = γT + βT ³ in the FM state differs quite insignificantly from that (γ_AFM) in the AFM state. Contributions to the low-temperature specific heat, which are related to a change in the elastic and magnetoelastic energy caused by magnetostrictive deformations, are considered.     

Dynamics and location of hydrogen in TaO<Subscript>0.03</Subscript>H<Subscript>0.01</Subscript>

The dynamics of hydrogen atoms in Ta-H and Ta-O-H interstitial solid solutions is analyzed. The vibrational energies of hydrogen interstitial impurity atoms are determined, and the metal-impurity interaction constants are calculated taking into account the atomic thermal vibrations in the host lattice. It is found that, in the Ta-O-H solid solution, as in the Ta-H solid solution, hydrogen atoms are located in relatively undistorted tetrahedra and the distance between the hydrogen and oxygen atoms is no shorter than that in the third coordination shell of the octahedral interstices.     

Magnetostructural transformations in Ni<Subscript>51</Subscript>Mn<Subscript>36</Subscript>Sn<Subscript>13</Subscript> Heusler alloy thin films

In this paper we report structural, magnetic and transport properties of strongly textured Ni₅₁Mn₃₆Sn₁₃ thin films. The off-stoichiometric Heusler alloy films with 200 nm thickness were sputter-deposited on a MgO(100) substrate at 500 K and after annealed at 1000 K in UHV conditions. The textured growth was confirmed by x-ray diffraction in Bragg-Brentano geometry. The temperature dependence of the magnetic properties was measured by VSM and FMR methods. The electron transport measurements were carried out in function of temperature in 0 Oe and 50 kOe fields. All measurements corroborate the existence of the martensitic transformation in the film. Furthermore, transport measurements reveal an influence of the magnetic field on the transition temperature.     

Molecular structure of tris(acetylacetonato)scandium Sc(C<Subscript>5</Subscript>H<Subscript>7</Subscript>O<Subscript>2</Subscript>)<Subscript>3</Subscript>

Molecular structure of tris(acetylacetonato)scandium, Sc(C₅H₇O₂)₃, is investigated by gas-phase electron diffractometry. The main structural parameters of the molecule are evaluated. The average intemuclear distances and angles correspond to C₃ symmetry. The chief structural motif is trigonal antiprisms of six oxygen, carbon, and hydrogen atoms with a scandium atom at the center. It is found that r_g[Sc-O) = 204.1(8) pm and r_g(C−O) = 124.7(4) pm Translated fromZhurnal Struktumoi Khimii, Vol. 39, No. 4, pp. 633–639, July–August, 1998.     

Dynamics of the magnetic flux component normal to the layers of Bi<Subscript>2</Subscript>Sr<Subscript>2</Subscript>CaCu<Subscript>2</Subscript>O<Subscript>8</Subscript> in a tilted field

High-frequency losses in the strongly anisotropic layered superconductor Bi₂Sr₂CaCu₂O₈ are measured at 600 MHz under a magnetic field rocking about the ab plane. Anomalies in losses and hysteretic phenomena are found while performing periodic rocking, i.e., cycling the magnetic field component normal to the sample surface. Based on these observations, conclusions are drawn about the nature of magnetic-flux penetration into the superconductor. It is found that, in the range between 60 K and T _c , the dynamics of magnetic-flux vortex lines normal to the ab plane in the presence of a constant magnetic field applied parallel to this plane is governed by the critical penetration field H _c ^⊥* and the surface barrier in the presence of thermally activated vortex motion (giant flux creep). The dependences of H _c1 ^⊥* and the characteristic field of the surface barrier on the magnitude of the parallel magnetic field are measured.     

The Optical Gain of a Si-Based Lattice-Matched Si<Subscript>0.15</Subscript>Ge<Subscript>0.621</Subscript>Sn<Subscript>0.229</Subscript>/Si<Subscript>0.637</Subscript>Ge<Subscript>0.018</Subscript>Sn<Subscript>0.345</Subscript> MQW Laser

We study the optical-gain characteristics of a Si-based MQW laser, in which the active region has 20 Si_0.15Ge_0.621Sn_0.229 quantum wells separated by 20 Si_0.637Ge_0.018Sn_0.345 barriers. We reach a maximum optical gain of 2300 cm^?1 with an estimated carrier concentration of 5·10¹⁸ cm^?3, which is equivalent to the transparent current density equal to 0.5 kA/cm². Furthermore, we discuss the optical confinement factor and modal gain. The modal gain depends sensitively on the number of the quantum wells (QWs), and this fact restricts the optical confinement factor. The modal gain of the model we proposed can reach 1500 cm^?1 at the injection current density equal to 3 kA/cm². We hope that our results show the possibility to obtain a Si-based near-infrared laser.     

Influence of K<Subscript>2</Subscript>Ti<Subscript>6</Subscript>O<Subscript>13</Subscript> on dielectric and barrier properties of polymer

Polymer composite comprising polyvinylidene fluoride (PVDF) and potassium hexatitante (K₂Ti₆O₁₃) was synthesized by solution casting. The effect of K₂Ti₆O₁₃ on surface, thermal, and electrical properties of polymer composite were investigated. The addition of K₂Ti₆O₁₃ with polymer leads to thermal degradation and transition of polymer composite from semi-crystalline to amorphous phase. The optimum results of contact angle for different loading wt% of K₂Ti₆O₁₃ were directly correlated with the surface morphology. Our experimental results confirmed the incorporation of K₂Ti₆O₁₃ in polymer by SEM micrographs. The evaluated dielectric properties (ε' = 424; tan δ = 2.14 at 130 °C and 100 Hz frequency for 20 wt% loading of K₂Ti₆O₁₃) for polymer composite are higher in compared to pure polymer. The enhancement in dielectric constant and changing the surface properties of polymer composite can be used for the development of electrochemical storage device applications.     

Magnetic properties of the tetranitrosyl-iron complex Fe<Subscript>2</Subscript>(SC<Subscript>3</Subscript>H<Subscript>5</Subscript>N<Subscript>2</Subscript>)<Subscript>2</Subscript>(NO)<Subscript>4</Subscript>

The magnetic properties of the binuclear nitrosyl-iron complexes Fe₂(SC₃H₅N₂)₂(NO)₄ are investigated. It is demonstrated that several types of particles, such as dimers with a pair of spins 1/2, dimers with a pair of spins 5/2, and paramagnetic particles with spin 3/2, make a contribution to the magnetic properties of the complexes. A decrease in the temperature below 25 K leads to a change in the shape of the EPR spectra corresponding to these dimers, so that Lorentzian lines (homogeneous broadening) transform into Gaussian lines (inhomogeneous broadening). This is accompanied by a stepwise change in the EPR line width and g factors. The change in the line shape indicates that complexes become asymmetric at low temperatures, possibly, due to the decrease in the spin exchange frequency below the frequency of the microwave field of the spectrometer.     

The enhanced catalytic degradation of SiO<Subscript>2</Subscript>/Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>/C@TiO<Subscript>2</Subscript> photo-Fenton system on p-nitrophenol

Heterogeneous photo-Fenton SiO₂/Fe₃O₄/C@TiO₂ (SFCT) catalyst with a core-multishell structure and a diameter of about 550 nm was successfully prepared and was characterized by scanning electron microscopy (SEM), TEM, XRD, Raman, and Fourier transform infrared (FT-IR). The results illustrated that anatase TiO₂ coexisted with rutile TiO₂, in which the anatase phase was the main crystal phase. In addition, the catalytic activity of SFCT catalyst had been evaluated in the catalytic degradation on p-nitrophenol (PNP). The influence factors on the PNP degradation, including SFCT component ratio (m _SFC/ m _TiO2), H₂O₂ dosage, solution pH, and PNP concentration, had been investigated. And the contrast experiments about the photo-Fenton catalytic mechanism revealed that the SFCT-2 catalyst possessed a superior activity in the neutral environment due to the optimal activity matching between Fe₃O₄ and TiO₂, and it exhibited the stable catalytic performance after five successive recycles. Therefore, the SFCT-2 catalyst had a promising application for the photo-Fenton degradation of organic contaminant.