AuB2 in comparison to superconducting MgB2-an ab initio study

The noble metal diboride AuB₂, a potential candidate for superconductor, is studied by an ab initio method in comparison to the superconducting MgB₂. The results, described in terms of equilibrium lattice constants, bulk modulus, pressure derivative of bulk modulus and their in- and out-of-plane linear values, volume coefficient of T_c, density of states, band structure, show some similarity as well as dissimilarity between the behaviour of the two compounds. The implications for the behaviour are discussed.     

Magnetic and photomagnetic studies in Nd0.7Sr0.3CoO3

We report magnetic and photomagnetic studies on polycrystalline Nd_0.7Sr_0.3CoO₃. Strong irreversibility in field cooled and zero field cooled data is observed. The hysteresis plot exhibits a very high coercivity at low temperatures. On photon irradiation, a decrease in the coercivity and an irreversible magnetization enhancement are observed. The analysis of all these data suggest that microscopic phase separation of competing ferromagnetism and antiferromagnetism and/or light-induced spin conversion processes among low, intermediate and high spin states of cobalt ions are responsible for all the properties.     

Structure and magnetostrictive properties of melt-spun Pr(Fe0.4Co0.6)1.93 alloys

Pr(Fe_0.4Co_0.6)_1.93 ribbons were prepared by a melt-spinning method. Their structure and magnetic properties are investigated as functions of wheel speed and annealing temperature. The as-spun ribbon consists of a Pr(Fe, Co)₂ cubic Laves phase and an amorphous phase at a wheel speed of v≥35 m/s, while the non-cubic phases of PuNi₃-type and rare earth appear when the speed lower than 30 m/s. A single Pr(Fe, Co)₂ phase with MgCu₂-type structure has been synthesized by the process for the wheel speed of v≥35 m/s and subsequent annealing at 500 °C for 30 min. The epoxy/Pr(Fe_0.4Co_0.6)_1.93 composite has been produced by a cold isostatic pressing technique, and the magnetic properties have been investigated. The composite rod sample possesses good magnetostrictive properties, i.e., a large magnetostriction (λ_a=λ_∥−λ_⊥) of 710 ppm at 800 kA/m and a dynamic coefficient d₃₃ of 0.67 nm/A at 100 kA/m, and is of practical value.     

Analysis of low temperature specific heat in Nd0.5Sr0.5MnO3 and R0.5Ca0.5MnO3 (R=Nd,Sm, Dy and Ho) compounds

We report on the specific heat C(T) of doped manganites Nd_0.5Sr_0.5MnO₃, Nd_0.5Ca_0.5MnO₃, Sm_0.5Ca_0.5MnO₃, Dy_0.5Ca_0.5MnO₃ and Ho_0.5Ca_0.5MnO₃ in the temperature range 2?T?300 K using modified rigid ion model (MRIM). The present specific heat results are in general satisfactory agreement with experimental data except at very low temperatures (i.e. T?12 K). Also a sharp peak observed in the experimental results for these compounds around 5 K could not be revealed by our computed results as they arise due to Schottky-like anomaly. Besides, we have reported the cohesive and the thermal properties of these compounds. The results obtained by us are discussed in detail.     

Enhanced superconducting properties of Eu2O3-doped MgB2

Bulk polycrystalline samples of Eu₂O₃-doped MgB₂ have been synthesized by a standard solid state reaction route and their structural and superconducting properties have been investigated. As a function of Eu₂O₃ content we have found a significant increase in the critical current density (J_c) and the irreversibility field (H_irr) in the magnetic field range 0–6 T. The XRD results reveal the presence of MgO and EuB₆ secondary phases along with the main hexagonal phase of MgB₂. The strain values and the lattice distortions have been found to increase almost linearly with the nominal Eu₂O₃ content. The observed significant improvement in J_c(H) and H_irr in the Eu₂O₃-doped MgB₂ samples, thus is mainly attributed to the lattice distortions introduced by Eu₂O₃ doping.     

First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2

First-principles full potential linearized augmented plane wave (FPLAPW) calculations have been performed to study the electronic structure and the magnetic properties of 3-Cyanobenzo-1,3,2-dithiazolyl,C₇H₃S₂N₂. The density of states (DOS), the total energy of the cell, and the spontaneous magnetic moment of C₇H₃S₂N₂ were all calculated. The calculations reveal that the low-temperature phase of the compound C₇H₃S₂N₂ has a stable metal-antiferromagnetic ground state, and there exists an antiferromagnetically coupled interactions between the dithiazolyl radical(1), which is in good agreement with experiment.     

Optical multilayer post growth instabilities: Analyses of Gd2O3/SiO2 system in combination with scanning probe force spectroscopy

Post growth multilayer instabilities of a certain periodic Gd₂O₃/SiO₂ multilayer systems have been investigated using scanning probe force-distance spectroscopy and optical spectrophotometric techniques. In the present work, we have noticed a strong correlation between the force spectroscopic results and the spectral properties of multilayer thin films, although measurement techniques and operating principles are quite different. From the experimental analysis, it was quite evident that the instability process, which starts during the nucleation and growth stage in thin films, continues to persist at a much longer time scale under post growth conditions. During this study it has been noticed that the elastic properties of the constituent thin films, the layer geometry and the bilayer thickness have strong correlation in trickling the multilayer instabilities. Such aspects also have strong interconnections with the morphological and viscoelastic changes. It is also noticed that most of the instabilities results cannot only be explained through elastic nature of the material alone. Instead, total number of layers, the layer structures, morphological changes, corresponding stiffness and the adhesion properties of the multilayer contribute substantially to these phenomena.     

First-principles study of quasi-one-dimensional β-Na0.33V2O5

The electronic structure of β-Na_0.33V₂O₅ has been evaluated using the first-principle density functional theory approach. All energy bands near the Fermi surface (FS) disperse principally along the b-axis direction indicating the quasi-one-dimensionality of this system. The theoretical simulation of the optical property yields reasonable explanations for the notable features revealed in the measurements of the optical spectroscopy. Superconductivity appearing under a pressure of 8 GPa has been discussed in connection with the pressure-induced structural and bands alternations. It is suggested that the strong interchain coupling could play a key role in the appearance of superconductivity. The electron correlation effects on the electronic structure have also been calculated and discussed in comparison with photoemission data.     

Frequency dependence of the resistive switching effect in Bi2Sr2CaCu2O8+y/Ag film heterocontacts

In this work we have performed the relaxation studies “in situ” of the electron instability effect (EIE) in the heterostructures based on BSCCO single crystals. The new effect of suppression of EIE or colossal electroresistance via application of an alternating low frequency electric field to the heterojunctions in the BSCCO-based single crystals has been found. It has been shown that the top possible frequencies for observation of the effect are of the order of 10³ Hz. This fact is interpreted as accumulation of the oxygen ions driven by the electric field to the interface. On the other hand, it has been shown that the switching events are limited by two time processes: t≈1 ms and about ten seconds. The first ones are caused by rearrangement of a charge net in the degraded surface at the electric field switching. The latter are caused by oxygen diffusion to vacancies under electric field above some threshold value. The considered experimental data confirm the correlation character of the HTSC properties as Mott systems, which appears in extreme sensitivity to the doping level, in the tendency to phase separation under external actions, in the hysteresis character of the metal-insulator transition.     

The influence of Co doping on the dielectric, ferroelectric and ferromagnetic properties of Ba0.70Sr0.30TiO3 thin films

Ba_0.70Sr_0.30TiO₃ (BST) thin films doped by Co (BSTC) are fabricated by sol-gel method on a Pt/Ti/SiO₂/Si substrate. A strong correlation is observed among the microstructure, dielectric, ferroelectric, ferromagnetic properties and Co concentration. The dielectric constant of BST thin films can be tailored from 343 to 119 by manipulating the Co concentration. The dielectric loss of BSTC thin films are still kept below 0.020 and the tunability is above 30% at a dc-applied electric field of 500 kV/cm. With increasing Co doping up to 10 mol%, the coexistence of ferromagnetism and ferroelectrics is found. Suitable dielectric constant, low-dielectric loss, and high tunability of this kind of thin films can be useful for potential tunable applications.     

Structure, magnetic and superconducting properties of MoSr2HoCu2O8−δ

Samples with nominal composition MoSr₂HoCu₂O_8−δ were synthesized and their magnetic and superconducting (SC) properties were investigated. The obtained samples are Mo-deficient. It was established that the magnetic order is of a long-range type. The coincidence of the experimental value of the Curie constant and the theoretical one of MoSr₂HoCu₂O_8−δ shows that the observed magnetic properties of the samples are determined by the highly dominating phase Mo-1212. The two-step resistive SC transition, together with the absence of both diamagnetism and a peak in the specific heat between the two critical temperatures may be associated with the presence of a granular superconductivity. The effect of the Mo-deficiency on the magnetic and SC properties of MoSr₂HoCu₂O_8−δ was discussed.     

A low temperature internal friction study of Y0.85Ca0.15Ba2Cu3O7−δ with different oxygen content

The ceramic sample of Y_0.85Ca_0.15Ba₂Cu₃O_7−δ was prepared by standard solid-state reaction method, and samples with different oxygen concentration were obtained by quenching from high temperature. The internal friction was measured using the vibrating reed method from liquid-nitrogen temperature to room temperature at kilohertz frequency. An internal friction peak was observed around 250 K in Y_0.85Ca_0.15Ba₂Cu₃O_7−δ quenched from 1023 K. The peak is related to the one observed around 220 K (labeled as P3 peak) in undoped YBa₂Cu₃O_7−δ (Y123). This result shows the dependence of P3 peak on carriers density and P3 peak has a strong correlation to the abnormal behavior of Y123 in the underdoped range. The variation of two low temperature thermal activated relaxation peaks (P1 and P2) on oxygen content were also investigated. And consistent explanations were given based on all recent researches.     

Structure and magnetic properties of (Nd,Dy)16(Fe,Co)76−xTixB8 powders prepared by mechanical alloying

Nanocrystalline (Nd,Dy)₁₆(Fe,Co)_76−xTi_xB₈ magnets were prepared by mechanical alloying and respective heat treatment at 973–1073 K/30–60 min. An addition of 0.5 at % of Ti results in an increase of coercivity from 796 to 1115 kA m⁻¹. Partial substitution of Nd by Dy results in an additional increase of coercivity up to 1234 kA m⁻¹. Mössbauer investigations shows that for x?1 the (Nd,Dy)₁₆(Fe,Co)_76−xTi_xB₈ powders are single phase. For higher Ti contents (x>1) the mechanically alloyed powders heat treated at 973 K are no more single phase, and the coercivity decreases due to the presence of an amorphous phase. A heat treatment at a higher temperature (1073 K) for longer time (1 h) results in the full recrystallisation of powders. The mean hyperfine field of the Nd₂Fe₁₄B phase decreases for titanium contents of 0?x?1, and remains constant for x>1. This indicates that the Ti content in the Nd₂Fe₁₄B phase reaches its maximum value.     

Effect of C and SiC additions into in situ or mechanically alloyed MgB2 deformed in Ti sheath

Effect of 3.4 wt.% C and 5 wt.% SiC doping into the standard in situ (IN) process and mechanically alloyed (MA) MgB₂ was studied. Powders of IN and MA process were carried out in air and in argon filled glove box, respectively. Wire samples were prepared by two-axial rolling deformation of IN and MA powders inside the Ti tube. Titanium as sheath material allows to use higher sintering temperatures, we used 700 °C and 800 °C for 30 min in Argon. Critical current densities (J_c) were measured at variable temperatures 4.2 K, 10 K, 15 K and 20 K in the external magnetic fields ranging to 15 T. Critical temperatures, upper critical fields and irreversibility fields of IN and MA with SiC and C additions are compared and discussed. The highest transport properties were observed for wires with MA SiC doped MgB₂ in the whole scale of temperatures 4.2–20 K. Upper critical field was rapidly enhanced in the case of carbon doped MA samples at 4.2 K. MA samples have shown decreased J_c values for higher temperatures (15 K, 20 K), in some case even worse than for the not doped reference IN sample. Carbon substitution and grain connectivity of analyzed samples are compared and discussed. Presented results show that for 20 K applications some new ways (additions) have to be found for increasing the J_c substantially.     

Magnetic phase diagram of diluted spinel Zn1−xCuxCr2Se4 system

By using mean field theory, we have evaluated the nearest-neighbour and the next-neighbour super-exchange J₁(x) and J₂(x), respectively, for Zn_1−xCu_xCr₂Se₄ in the range 0?x?1. The intraplanar and the interplanar interactions are deduced. High-temperature series expansions are derived for the magnetic susceptibility and two-spin correlation functions for a Heisenberg ferromagnetic model on the B-spinel lattice. The calculations are developed in the framework of the random phase approximation. The magnetic phase diagram is deduced. A spin glass phase is predicted for intermediate range of concentration. The results are comparable with those obtained by magnetic measurements. The critical exponents associated with the magnetic susceptibility (γ) and the correlation lengths (ν) have been deduced. The values are comparable to those of the 3D Heisenberg model, and are insensitive to the dilution x.     

Enhancement of the upper critical field of MgB2 by carbon-doping

We have measured the temperature dependence of the upper critical field, H_c2(T), of carbon-doped MgB₂. H_c2(T) does not follow the well-known Werthamer-Helfand-Hohenberg (WHH) result for a one-gap dirty superconductor but can be described well by the result of a recent theoretical calculation for a two-gap dirty superconductor. H_c2(0) of the carbon-doped material is determined to be between 29 and 38 T, substantially higher than that of pure MgB₂ (15-23 T).     

First-principles investigation of pressure-induced changes in structural and electronic properties of Y 2C3 superconductor

The structural and electronic properties of Y ₂C₃ superconductor under different external pressures were calculated by employing the first-principles method. This shows that the lattice constants as well as the lengths of C-C dimers decrease with the pressure. Results of band structure calculations indicate that the Fermi level advances to the bonding zone with an increase in pressure; meantime, the valence and conduction bands intersect more deeply with the Fermi level. Moreover, the Fermi level is found to shift from the valley bottom of the density of states (DOS) curve to the shoulder, which means an increase in N(E_F), and therefore the critical temperature, T_c. The calculations verify that the critical temperature is directly related to the electronic structure.     

First-principles study of structural, elastic, electronic, and optical properties of hexagonal BiAlO3

The structural parameters, elastic, electronic, and optical properties of hexagonal BiAlO₃ were investigated by the density functional theory. The calculated structural parameters are in good agreement with previous calculation and experimental data. The structural stability of BiAlO₃ has been confirmed by calculation of the elastic constants. The energy band structure, density of states, and Mulliken charge populations were obtained. BiAlO₃ presents an indirect band gap of 3.28 eV. Furthermore, the optical properties were calculated and analyzed. It is shown that BiAlO₃ is a promising dielectric material.     

Th3Ni2B2N3 a possible new superconducting compound: insights from electronic band structure

La₃Ni₂B₂N₃, which is similar to YNi₂B₂C and related borocarbides, was earlier studied by the electronic structure calculations [D.J. Singh, W.E. Pickett, Phys. Rev. B 51 (1995) 8668.], and was predicted to be a 3-D metal. In search of new compounds of the borocarbide and related families to get higher T_C, we have studied the compound Th₃Ni₂B₂N₃, by the first principles full potential electronic structure calculations by the linear augmented plane wave method. We get similar band structure for Th₃Ni₂B₂N₃ as found for La₃Ni₂B₂N₃, and the various atom-split component density of states show similar properties. The total electron density of states at Fermi level has been increased to about 92 states per Ry per f.u. as compared to 57 states per Ry per f.u. in La₃Ni₂B₂N₃. The main increase is due to the increased hybridization of the 5f states as seen by the more prominent low energy tail in the Th-component density of states. Based on this enhancement we predict Th₃Ni₂B₂N₃ to be a high temperature superconductor with a T_c in excess of 30 K.     

Emission Mössbauer studies of the magnetoresistive compound, La0.7Sr0.3MnO3

The magnetic behavior of the Sr_0.3 manganite is studied using a local microprobe, ⁵⁷Co. In contrast with Ca substituted manganites, a much larger fraction of the material exhibits short-range order with superparamagnetic-like behavior even at 80 K. The differences in behavior are attributed to the large mismatch between the ionic radii of La⁺³ and the divalent substituent Sr⁺², which introduces anharmonicity in local vibrations. In common with all other compounds exhibiting negative bulk magnetoresistivity, the Sr_0.3 compound also exhibits very marked softening of lattice as one approaches T_c from below. Application of an external magnetic field results in coalescing of nanosized magnetic clusters to form larger ones with better alignment of spins.