Preliminary studies of the Raman spectra of \hbox {Ag}_{2}\hbox {Te}\hbox { and }\hbox {Ag}_{5}\hbox {Te}_{3}

The theoretical calculations indicated that the monoclinic low-temperature phase of silver telluride $(\upbeta \hbox {-Ag}_{2}\hbox {Te})$ is a new binary topological insulator with highly anisotropic single Dirac cone surface. We obtained $\upbeta \hbox {-Ag}_{2}\hbox {Te}$ crystal ingots containing few grains by the Bridgman method. We also deposited thin films of tellurium, $\hbox {Ag}_{5}\hbox {Te}_{3}\hbox { and }(\hbox {Te+Ag}_{5}\hbox {Te}_{3})$ by thermal evaporation method. The Raman spectra of $\upbeta \hbox {-Ag}_{2}\hbox {Te}$ , tellurium and $\hbox {Ag}_{5}\hbox {Te}_{3}$ were measured at three excitation wave lengths: 633, 515 and 488 nm. The Raman active modes of $\upbeta \hbox {-Ag}_{2}\hbox {Te}$ , tellurium and $\hbox {Ag}_{5}\hbox {Te}_{3}$ are situated at frequencies below 300  $\hbox {cm}^{-1}$ while vibrations of other phases appear at higher frequencies.     

Characterization of the current-induced resistive spots in superconducting \hbox {YBa}_{2} \hbox {Cu}_{3} \hbox {O}_{7} strips

For over a decade, ultrathin superconducting films have been developed for the detection of single photons at optical or near infrared frequencies, with competitive performances in terms of quantum efficiency, speed, and low dark count rate. In order to avoid the requirement of helium refrigeration, we consider here the use of high temperature materials, known to achieve very fast responsiveness to laser irradiation. We excite thin filaments of the cuprate \(\hbox {YBa}_{2} \hbox {Cu}_{3} \hbox {O}_{7}\) by rectangular pulses of supercritical current so as to produce either a phase-slip centre (PSC) or a normal hot spot (HS), according to the temperature and the current amplitude selected. That procedure provides information about the maximum bias current to be used in a particle detector, about the return current back to the quiescent state after excitation, and about the rate of growth and decay of a HS. We also measure the time of PSC nucleation. A unique feature of that approach is to provide the rate of heat transfer between the film and its substrate at whatever temperature, in the superconducting state, in the practical conditions of operation.     

Modeling of Spin Hamiltonian Parameters for Vanadyl-Doped {\bf\hbox{K}_2\hbox{SO}_4{-}\hbox{Na}_2\hbox{SO}_4{-}\hbox{ZnSO}_4} Glass

A full ligand-field energy matrix diagonalization treatment for 3d ¹ ions in tetragonal symmetry is developed on the basis of the two spin?Corbit coupling parameter model, and the contributions of the spin?Corbit coupling of the ligand ions to the optical and electron paramagnetic resonance spectra are included. Spin Hamiltonian parameters of the tetragonal ${\rm V}^{4+}$ center in $\hbox{K}_2\hbox{SO}_4 {-} \hbox{Na}_2\hbox{SO}_4{-}\hbox{ZnSO}_4$ glass are calculated from the complete energy matrix diagonalization and the perturbation theory methods. The results calculated by both methods are not only close to each other but also in good agreement with the experimental values. Furthermore, the compressed defect structure of the ${\rm (VO_6)^{8-}}$ cluster is discussed.     

X-ray spectra and valence states of cations in nanostructured half-doped $$\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}$$ manganite

Soft X-ray absorption (XAS) and emission (XES) spectroscopies were applied to determine valence states of manganese ions in nanostructured powder of half-doped \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\) manganite obtained by milling in a ball mill. XAS spectra were measured both in surface-sensitivity total electron-yield and in bulk-sensitivity total fluorescence-yield modes. O K\(_{\upalpha }\) XES and O 1s XAS spectra characterized the occupied and unoccupied partial O 2p densities of states are compared with band-structure calculations made using the TB-LMTO-ASA codes. Experimental Mn 2p, Ca 2p, and La 3\(d\) XAS spectra are compared with results of crystal field atomic multiplet calculations. For the nanostructured system of \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\), concentrations of Mn\(^{4+}\) ions are found to be increased with increasing the time of milling.     

Structural, morphological and optical properties of \hbox {In}_{2}\hbox {S}_{3} thin films obtained by SILAR method

$\hbox {In}_{2}\hbox {S}_{3}$ thin films have been elaborated onto glass substrate by SILAR method at room temperature using different immersion time in the solution of cation and anion and fixing the rinsing time. The film composition, morphology and structure were investigated using energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and X-ray diffraction techniques. Optical properties, such transmission and band gap have been also analyzed. The effects of annealing on the morphological structure thin films are also described. The x-rays diffraction spectra indicated that the formed compounds are $\upbeta $ - $\hbox {In}_{2}\hbox {S}_{3}$ polycrystalline thin films with $\hbox {In}_{6}\hbox {S}_{7 }$ as second phase in sample S1 and sample S2 and no another phase in sample 3. SEM revealed homogeneous and relatively uniform films and EDAX shows sample 3 with S/In=1.44. For sample 1 and sample 2, we noted an increase of band gap when rinsing time increases.     

Characteristics of splat-cooled Sn- \hbox{Bi}_{5} - \hbox{Pb}_{\bi x} alloys

A Sn-5 \, wt.%Bi binary master alloy was prepared by melt spinning. Ternary alloys with different Pb contents ( x = 0 - 2.5\,\hbox{wt.}\% ) were prepared with the same technique. All the alloys were irradiated with 1.2\,\hbox{MGy} \gamma -radiation at room temperature. The internal friction, Q^{-1} , the thermal diffusivity D_{\rm th} and the Young's modulus Y obtained by applying the resonance technique were measured at room temperature before and after irradiation. DTA thermograms and X-ray diffraction patterns were obtained for the tested alloys. The results showed a remarkable dependence on both the amounts of the ternary addition and irradiation with \gamma -rays. The observed changes in the measured values were attributed to a composition inhomogeneity, caused by the distribution mode of the third element in the matrix and the defects induced by irradiation.     

Effect of tensile and compressive strain on the magnetic ordering of the ($$\hbox {LaMnO}_{3})_{1}/\hbox {(SrTiO}_{3})_{1}$$ superlattice

We study the effects of tensile and compressive strain on the \((\hbox {LaMnO}_{3})_{1}/(\hbox {SrTiO}_{3})_{1}\) superlattice from density functional theory using Quantum-Espresso open source code. In the unstrained superlattice, electron interactions in out-of-plane Mn–O–Ti chains are dominated by superexchange interactions, giving rise to ferromagnetic and half-metallic conducting characters. We found that the most stable magnetic configuration is G-type antiferromagnetic configuration for strong compressive strain and for strong tensile strain it is A-type antiferromagnetic configuration. The results are in accordance with the experimental observations which show that the superlattices can be grown on different substrates, and due to the difference in lattice parameters of the substrate and the main layer, there are also changes in the amount of strain applied to the superlattice.     

Magnetic interactions and electronic structure of $$\hbox {Pt}_{2}\hbox {Mn}_{1-x}\hbox {Y}_{x} \hbox {Ga (Y = Cr and Fe)}$$ system: An ab-initio calculation

Structural, optical, electrical conductivity and dielectric relaxation properties of bulk 4-amino-3-mercapto-6-(2-(2-thienyl)vinyl)-1,2,4-triazin-5(4H)-one donor (AMT) are studied. The structure of AMT in its powder form was analysed by X-ray diffraction (XRD), infrared spectroscopy (FT-IR) and atomic force microscopy (AFM). AC measurements (impedance, capacitance and phase angle) are done over the temperature range 303–373 K and in the frequency range from 42 Hz to 5 MHz. Analytical approaches for the experimental results of the σ _AC(ω, T) and the temperature behaviour of the frequency exponent show that the correlated barrier hopping (CBH) model is a good model to explain the AC electrical conductivity of bulk AMT organic semiconductor material. Application of the dielectric modulus formulism gives a simple method for evaluating the activation energy of the dielectric relaxation. The activation energy from the DC conductivity and the relaxation time are quite similar suggesting a hopping mechanism for AMT. The optical band gap of AMT is investigated using spectrophotometric measurement of transmittance at normal incidence of light in the wavelength range 300–1100 nm.     

Structural and optical characteristics of Ce,Nd, Gd,and Dy-doped $$\hbox {Al}_{2}\hbox {O}_{3}$$ thin films

In a quantum harmonic oscillator (QHO), the energy of the oscillator increases with increased frequency. In this paper, assuming a boundary condition that the product of momentum and position, or the product of energy density and position remains constant in the QHO, it is established that a particle subjected to increasing frequencies becomes gradually subtler to transform into a very high dormant potential energy. This very high dormant potential energy is referred to as ‘like-potential’ energy in this paper. In the process a new wave function is generated. This new function, which corresponds to new sets of particles, has scope to raise the quantum oscillator energy (QOE) up to infinity. It is proposed to show that this high energy does not get cancelled but remains dormant. Further, it is proposed that the displacement about the equilibrium goes to zero when the vibration of the oscillator stops and then the QOE becomes infinity – this needs further research. The more the QOE, the greater will be the degree of dormancy. A simple mathematical model has been derived here to discuss the possibilities that are involved in the QHO under the above-mentioned boundary conditions.     

Ab-initio calculations of structural,phonon and thermal properties of $$\hbox {Al}_x \hbox {Ga}_{1-x} \hbox {As}$$ alloy

We provide the energy spectrum of an electron in a degenerately doped semiconductor of parabolic band. Knowing the energy spectrum, the density-of-states (DOS) functions are obtained, considering the Gaussian distribution of the potential energy of the impurity states, showing a band tail in them e.g., energy spectrum and density-of-states. Therefore, Fermi integrals (FIs) of DOS functions, having band tail, are developed by the exact theoretical calculations of the same. It is noticed that with heavy dopings in semiconductors, the total FI demonstrates complex functions, containing both real and imaginary terms of different FI functions. Their moduli possess an oscillatory function of \(\eta \) (reduced \(\hbox {Fermi energy} = E_{\mathrm{f}}/k_{\mathrm{B}}T\), \(k_{\mathrm{B}}\) is the Boltzmann constant and T is the absolute temperature) and \(\eta _{e}\) (impurity screening potential), having a series solutions of confluent hypergeometric functions, \(\Phi (a, b; z)\), superimposed with natural cosine functions of angle \(\theta \). The variation of \(\theta \) with respect to \(\eta \) indicated a resonance at \(\eta =1.5\). The oscillatory behaviour of FIs show the existence of ‘band-gaps’, both in the real as well as in the forbidden bands as new band gaps in the semiconductor.     

\hbox {Ph}_{3}\hbox {P/CCl}_{4} as a highly efficient reagent for one-pot N-alkylation of sulfonamides from alcohols: a rapid route to N-alkyl sulfonamides synthesis

A mild, efficient, and selective protocol for the one-pot $N$ -alkylation of sulfonamides with alcohols using triphenylphosphine and carbon tetrachloride is described. In this method, treatment of alcohols with a mixture of triphenylphosphine, carbon tetrachloride, and potassium sulfonylamide salts in refluxing anhydrous DMF furnishes the corresponding $N$ -alkyl sulfonamides in good to excellent yields. This protocol is highly efficient for various structurally diverse alcohols and potassium sulfonylamide salts. In this paper the influence of solvents and various reagents as sources for electrophilic-halogen instead of carbon tetrachloride in combination with triphenylphosphine have been examined. This protocol demonstrates the selectivity between primary and secondary alcohols. A plausible mechanism for this protocol has been described.     

Mag netic properties of $$\hbox{Ni}_{13- n}\hbox{Al}_ n$$ clusters with n = 0–13

We report the magnetic properties of small Ni_13-nAl_n\hbox{Ni}_{13-n}\hbox{Al}_n clusters with n = 0–13 calculated in the framework of density functional theory. The cluster magnetic moment decreases with the sequential substitution of Ni by Al atoms, which can be attributed to a greater degree of hybridization that forces the pairing of the electrons in the molecular orbitals of Ni and Al. For Ni₇Al₆, the complete quenching of the cluster magnetic moment appears to be due to the antiferromagnetic alignment of atomic spins as revealed by the spin density plots.     

Structural characterization of Mg substituted on A/B sites in $$\hbox {NiFe}_2\hbox {O}_4$$ nanoparticles using autocombustion method

A compact quantitative model based on oxide semiconductor interface density of states (DOS) is proposed for Al_0.25Ga_0.75N/GaN metal oxide semiconductor high electron mobility transistor (MOSHEMT). Mathematical expressions for surface potential, sheet charge concentration, gate capacitance and threshold voltage have been derived. The gate capacitance behaviour is studied in terms of capacitance–voltage (CV) characteristics. Similarly, the predicted threshold voltage (V _T) is analysed by varying barrier thickness and oxide thickness. The positive V _T obtained for a very thin 3 nm AlGaN barrier layer enables the enhancement mode operation of the MOSHEMT. These devices, along with depletion mode devices, are basic constituents of cascode configuration in power electronic circuits. The expressions developed are used in conventional long-channel HEMT drain current equation and evaluated to obtain different DC characteristics. The obtained results are compared with experimental data taken from literature which show good agreement and hence endorse the proposed model.     

Fabrication and photoresponse of n-$$\hbox {WS}_{2}/$$p-V$$_{0.25}$$0.25W$$_{0.75}$$0.75Se$$_{2}$$2 van der Waals heterojunction

Excitation functions for \(\alpha \)-induced reactions on natural vanadium were measured in the energy range up to 20 MeV. The stacked-foil activation technique was used. The experimental results were compared with the theoretical calculations using EMPIRE-3.1, EMPIRE-3.2.2 and TENDL 2015, and with earlier experimental results. Thick target yields were calculated for the production of \(^{54}\hbox {Mn}\) and for the associated impurity \(^{52}\hbox {Mn}\).     

First-principle calculations of structural,electronic, optical,elastic and thermal properties of $$\hbox {MgXAs}_{2}$$ ($$\hbox {X}=\hbox {Si}, \hbox {Ge}$$X=Si,Ge) compounds

First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite \(\hbox {MgXAs}_{2}\) (\(\hbox {X}=\hbox {Si}, \hbox {Ge}\)) have been performed within the density functional theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The obtained equilibrium structural parameters are in good agreement with the available experimental data and theoretical results. The calculated band structures reveal a direct energy band gap for the interested compounds. The predicted band gaps using the modified Becke–Johnson (mBJ) exchange approximation are in fairly good agreement with the experimental data. The optical constants such as the dielectric function, refractive index, and the extinction coefficient are calculated and analysed. The independent elastic parameters namely, \(C_{11}\), \(C_{12}\), \(C_{13}\), \(C_{33}\), \(C_{44}\) and \(C_{66 }\) are evaluated. The effects of temperature and pressure on some macroscopic properties of \(\hbox {MgSiAs}_{2}\) and \(\hbox {MgGeAs}_{2}\) are predicted using the quasiharmonic Debye model in which the lattice vibrations are taken into account.