Electronic structure, magnetism and superconductivity of layered iron compounds

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe (Se, Te) have closely related electronic structures. The Fermi surface consists of disconnected hole and electron cylinders and additional hole sections that depend on the specific material. This places the materials in proximity to itinerant magnetism, both due to the high density of states and due to nesting. Comparison of density functional results and experiment provides strong evidence for itinerant spin fluctuations, which are discussed in relation to superconductivity. It is proposed that the intermediate phase between the structural transition and the SDW transition in the oxy-pnictides is a nematic phase.     

Dark Energy with Generalized Equation of State in Bianchi Type-I Cosmological Model

Dark energy with the usually used equation of state p=γρ, where γ=const<0 is hydrodynamically unstable. To overcome this drawback we consider the cosmology of a perfect fluid with a linear equation of state of a more general form p=α(ρ−ρ ₀), where the constants α and ρ ₀ are free parameters. The anisotropic Bianchi type-I cosmological model filled with dark energy has been considered. A generalized equation of state for the dark energy component of the universe has been used. The exact solutions to the corresponding Einstein field equations and the statefinder diagnostic pair i.e. {r,s} parameters have been obtained in three interesting cases (i) when ρ _Λ>0 and A>0 (ii) when ρ _Λ>0 and A<0 and (iii) when ρ _Λ<0 and A>0 at the singularities i.e. t→0 and t→±∞.     

Influence of Tb doping on the luminescence characteristics of ZnO nanoparticles

Structural and optical properties of the Tb-doped ZnO nanoparticles with average diameter ≈4 nm have been systematically investigated. Our X-ray diffraction studies show a contraction of the ZnO lattice with the increase of the Tb mole-fraction x for x ≤ 0.02 and an expansion beyond x ≈ 0.02. The photoluminescence spectra are found to be comprised of a near band edge ultra violet luminescence (UVL) and a broad green luminescence (GL) band. Under the atmospheric condition, the intensity of the GL band is found to increase with the Tb mole-fraction over the entire doping range. On the other hand, under the vacuum condition, it has been observed that the GL intensity decreases with the increase of x up to x ≈ 0.02 but further increase of x leads to a gradual revival of the GL emission. Our study suggests that for x ≤ 0.02, GL results due to the physisorption of certain groups on the surface of the nanoparticles (GL-groups). It is also found that in this Tb mole-fraction regime, Tb incorporates mostly on the surface of the nanoparticles and affects the UVL to GL intensity ratio by influencing the attachment of the GL-groups. However, for x > 0.02, GL originates not only from the GL-groups but also from certain point defects, which are likely to be generated due to the incorporation of Tb in the core of the nanoparticles. A simple rate equation model is introduced to get a quantitative understanding about the variation of the density of the centers responsible for the GL emission as a function of x under the atmospheric and the vacuum conditions.     

Spin waves and revised crystal structure of honeycomb iridate Na2IrO3

We report inelastic neutron scattering measurements on Na2IrO3, a candidate for the Kitaev spin model on the honeycomb lattice. We observe spin-wave excitations below 5 meV with a dispersion that can be accounted for by including substantial further-neighbor exchanges that stabilize zigzag magnetic order. The onset of long-range magnetic order below T(N)=15.3 K is confirmed via the observation of oscillations in zero-field muon-spin rotation experiments. Combining single-crystal diffraction and density functional calculations we propose a revised crystal structure model with significant departures from the ideal 90° Ir-O-Ir bonds required for dominant Kitaev exchange.     

Phase transitions,ferroelectric behavior and second-order nonlinear optics of a new mixed sodium dihydrogen phosphate–arsenate

Aiming at the development of new proton conducting solids, recent studies of the NaH₂PO₄·H₂O–NaH₂AsO₄·H₂O system have lead to the synthesis of a new compound NaH₂(PO₄)_0.48(AsO₄)_0.52·H₂O (NDAP). Calorimetric studies have confirmed the presence of four reversible phase transitions (abbreviated by PhT), at 257/270 (PhT, IV), 261/290 (PhT, III), 267/301 (PhT, II) and 317/317.5 K (PhT, I) (for cooling/heating processes, respectively). It is shown that the III and IV phase transitions are of a first order type, with a “order-disorder and displacive” character, accompanied by specific dielectric anomalies. The behavior of the dielectric constant ε′_r and of tan δ shows that, at 272 K, the (PhT, IV) could be ferroelectric–paraelectric. As for the (PhT, III) at 296 K, it leads to a superionic–protonic phase; a jump in the conductivity is associated to this transition with an unusual high value of conductivity 1.07×10^?4 Ω^?1 cm^?1 and a low activation energy 0.39 eV (Kh. Jarraya et al.). Quandratic nonlinear (NLO) properties of NDAP powder was confirmed efficiency of the grown crystal by the Kurtz and Perry second harmonic generation (SHG) technique.     

EPR and photoluminescence properties of green light emitting LaAl11O18:Mn phosphors

The LaAl₁₁O₁₈:Mn²⁺ powder phosphor has been prepared using a self-propagating synthesis. Formation and homogeneity of the LaAl₁₁O₁₈:Mn²⁺ phosphor has been verified by X-ray diffraction and energy dispersive X-ray analysis respectively. The EPR spectra of Mn²⁺ ions exhibit resonance signals with effective g values at g≈4.8 and g≈1.978. The signal at g≈1.978 exhibits six-line hyperfine structure and is due to Mn²⁺ ions in an environment close to tetrahedral symmetry, whereas the resonance at g≈4.8 is attributed to the rhombic surroundings of the Mn²⁺ ions. It is observed that the number of spins participating in resonance for g≈1.978 increases with decreasing temperature obeying the Boltzmann law. Upon 451 nm excitation, the photoluminescence spectrum exhibits a green emission peak at 514 nm due to ⁴T₁ (G)→⁶A₁ (S) transition of Mn²⁺ ions. The crystal field parameter Dq and Racah inter-electronic repulsion parameters B and C have been evaluated from the excitation spectrum.     

Orbital order in NaTiO2: A first principles study

The debate over the orbital order in the layered triangular lattice system NaTiO₂ has been rekindled by the recent experiments of McQueen et al. [Phys. Rev. Lett. 101 (2008) 166402] on NaVO₂. In view of this, the nature of orbital ordering, in both high and low temperature phases, is studied using an ab-initio electronic structure calculation. The orbital order observed in our calculations in the low temperature structure of NaTiO₂ is consistent with the predictions of McQueen et al. An LDA plus dynamical mean-field calculation shows considerable transfer of spectral weight from the Fermi level but no metal–insulator transition, confirming the poor metallic behavior observed in transport measurements.     

Theoretical expression for change of extraordinary refractive index in annealed proton exchanged LiNbO3 optical waveguides

A general expression for the change in extraordinary refractive index of the annealed proton exchanged LiNbO₃ waveguide has been deduced. The expression deduced explains the experimental results of decrease in change of extraordinary refractive index with annealing. The effect of annealing time has also been incorporated following Cao's model (Cao, Ramaswamy, Srivastava, J. Lightwave Technol. 10 (1992) 1302–1313). The concentration profile of protons in the annealed waveguide has been deduced theoretically, which is consistent with the previous results. The spontaneous polarization has been considered as the central mechanism for change in extraordinary refractive index due to proton exchange with annealing.     

Interaction of oxygen (O+7) ion beam on polyaniline thin films

High-energy ion beam irradiation of the polymers is a good technique to modify the properties such as electrical conductivity, structural behaviour and mechanial properties. Polyaniline thin films doped with hydrochloric acid (HCl) were prepared by oxidation of ammonium persulphate. The effect of Swift Heavy Ions irradiation on the electrical and structural properties of polyaniline has been measured in this study. Polyaniline films were irradiated by oxygen ions (energy 80 MeV, charge state O⁺⁷) with fluence varying from 1 × 10¹⁰ to 3 × 10¹² ions/cm². The studies on electrical and structural properties of the irradiated polymers were investigated by measuring V-I using four probe set-up and X-ray diffraction (XRD) using Bruker AXS, X-ray powder diffractometer. V-I measurements shows an increase in the conductivity of the film, XRD pattern of the polymer shows that the crystallinity improved after the irradiation with Swift Heavy Ions (SHI), which could be attributed to cross linking mechanism.      

Different shapes of tracks in phlogopite, biotite and soda lime glass

Etched track opening geometries in Biotite, Phlogopite and soda-lime glass irradiated with swift heavy ions [¹⁹⁷Au(11.64 MeV/n), ¹³⁶Xe(11.56 MeV/n), ⁵⁸Ni(11.56 MeV/n)] at different angle of incidence have been studied using appropriate chemical etching technique. Different geometries (Hexagonal, irregular polygon, triangular in case of Biotite and Phlogopite, and circular & elliptical in case of soda lime glass detector) of heavy ion tracks are reported in the present investigations using optical microscope. The different shapes of these heavy ions track geometries are found to be related with various target-projectile parameters (viz: type of projectiles, energy, stopping power, angle of incidence of the projectile, density of defects and its reactivity with etchant, etching conditions and chemical structure of the detectors). The dependence of different shapes of heavy ion tracks in isotropic and anisotropic medium on the variation of radiation damage densities along the ion trajectories have also been discussed in the present paper.