Electronic and optical properties of Sr3X2 (X=N,P, As,Sb and Bi) compounds: first principles study

ABSTRACT

Direct bandgap semiconductors are very essential to fulfil the demand for the advancement in optoelectronic devices. Therefore it is important to predict new potential candidates having such unique features. In current work, Sr₃X₂ (X=N, P, As, Sb and Bi) compounds have been reported for the first time by well trusted FP-APW+lo method. For the better prediction of the energy band gap, mBJ is used alongwith routine generalised gradient approximation (GGA). The results show small and direct energy band gaps at Γ-Γ symmetry points with magnitude in the range from 0.62?eV (Sr₃P₂) to zero energy band gap (Sr₃Bi₂). In partial density of state Sr-d state and X-p state are contributed in the band structure. The compounds show mostly covalent bonding nature. The frequecy dependent optical properties in the linear optical range are also investigated.     

Differential oscillator strengths and dipole polarizabilities for transitions of the helium sequence

The dipole radial integral for an initial discrete 1s state and a final continuum state has been calculated under the screened hydrogenic model. In this model, single-electron hydrogenic wave functions are employed and the initial and the final states are treated by two different effective-charge parameters. Numerical values of differential oscillator strengths for transitions from 1s 21S to the continuum for the helium sequence ions are obtained. Also calculated are the dipole polarizabilities, which are found to be in excellent agreement with the results of other authors.     

Optimal control theory of an age-structured coronavirus disease model and the dynamical analysis of the underlying ordinary differential equation model having constant parameters

This paper addresses the dynamics of COVID-19 using the approach of age-structured modeling. A particular case of the model is presented by taking into account age-free parameters. The sub-model consisting of ordinary differential equations (ODEs) is investigated for possible equilibria, and qualitative aspects of the model are rigorously presented. In order to control the spread of the disease, we considered two age- and time-dependent non-pharmaceutical control measures in the age-structured model, and an optimal control problem using a general maximum principle of Pontryagin type is achieved. Finally, sample simulations are plotted which support our theoretical work.     

The level scheme of133Sb

Nuclear spectroscopy studies of ₅₁ ¹³³ Sb₈₂ have been performed at the recoil fission product separators JOSEF and LOHENGRIN. A tentative level scheme has been established for this nucleus with one proton in addition to the doubly closed shell core¹³²Sn. Two isomeric states with half-lives of 3 and 16 μs have been found at excitation energies of >4300 keV and 4526 keV, respectively. Lower limits of 15/2 are deduced for the spins of these levels. The h_11/2 proton state is suggested at 2792 keV in agreement with the systematics of the lighter Z=51 isotopes and the heavier N=82 isotones. Several states have been observed between 4300 and 4600 keV which are probably due to the coupling of the single proton to core-excited states which have energies between 4000 and 4800 keV.     

New classification in the spectra of highly ionized Cu and Zn in the region below 55 Å

The extreme ultraviolet spectra of Cu and Zn are analyzed. New classifications in the wavelength region below 55 Å are tabulated. The spectra were excited by focussing high power laser radiation on plane targets in a vacuum. The spectral lines reported here correspond mainly to the transitions between levels of principal quantum number 3 and 4 in Cu XVI to XIX and Zn XVII to XX. The identifications are based on extrapolations of published data for isoelectronic ions.     

Three Wave Interactions in a Beam-Plasma-System in a Cylindrical Waveguide

Interaction of three waves in a beam-plasma system in a circular cylindrical waveguide is studied. The dispersion relation and the axial growth rate have been obtained.     

Efficient photodegradation of methylthioninium chloride dye in aqueous using barium tungstate nanoparticles

BaWO₄ nanoparticles were successfully used as the photocatalysts in the degradation of methylthioninium chloride (MTC) dye at different pH levels of aqueous solution. Pure phase of barium tungstate (BaWO₄) nanoparticles was synthesized by modified molten salt process at 500 °C for 6 h. Structural and morphological characterizations of BaWO₄ nanoparticles (average particle size of ~40 nm) were studied in details using powder x-ray diffraction (XRD), FTIR, Raman, energy-dispersive, electron microscopic, and x-ray photoelectron spectroscopy (XPS) techniques. Direct band gap energy of BaWO₄ nanoparticles was found to be ~3.06 eV from the UV–visible absorption spectroscopy followed by Tauc’s model. Photocatalytic properties of the nanoparticles were also investigated systematically for the degradation of MTC dye solution in various mediums. BaWO₄ nanoparticles claim the significant enhancement of the photocatalytic degradation of aqueous MTC dye to non-hazardous inorganic constitutes under alkaline, neutral, and acidic mediums.

Open image in new window

Graphical abstract BaWO₄ nanoparticles enhance the rate of photocatalytic degradation of organic dyes in various mediums.

     

Synthetic approaches toward stilbenes and their related structures

Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science.