Presence of Jahn-Teller distortions in a novel six-coordinate Ag(II) complex: temperature dependent EPR,optical and magnetic susceptibility measurements

Single-crystal variable temperature EPR, optical and polycrystalline magnetic susceptibility studies have been made on a novel six-coordinate Ag(II) complex. Temperature dependent EPR studies on pure single crystals of this compound reveal that dynamic Jahn-Teller distortion operates above 230 K, between 230 K and 120K static Jahn-Teller distortion sets in and below 110 K there is evidence of exchange interaction. Crystal g values were obtained by least-squares fitting with the data obtained from the orientation dependent EPR spectra of the undiluted single crystal of this complex at 300 K and 77 K. From an optical study the Jahn-Teller stabilization energy is found to be ～2250cm^?1. Comparison of Abs_max values for other silver(II) compounds enables us to conclude that the formal geometry of this complex is a tetragonally distorted octahedral. Infrared spectra of this complex were also recorded over a wide range of temperature. Magnetic susceptibility measurements over a wide range of temperature on the powder sample of this compound reveal that the complex is antiferromagnetically coupled in the temperature range 5–40 K with 2J = 0.906cm^?1, and above 40K it is ferromagnetically coupled with 2J = +7.4cm^?1. The effective magnetic moment (μ_eff) of this complex has been compared with that of a series of other silver(II) complexes available in the literature. Finally, the spectral and magnetic data of this complex have been compared with those of a corresponding isostructural and isomorphous copper(II) complex.     

Phonon dispersions in graphene sheet and single-walled carbon nanotubes

In the present research paper, phonons in graphene sheet have been calculated by constructing a dynamical matrix using the force constants derived from the second-generation reactive empirical bond order potential by Brenner and co-workers. Our results are comparable to inelastic X-ray scattering as well as first principle calculations. At Γ point, for graphene, the optical modes (degenerate) lie near 1685 cm^???1. The frequency regimes are easily distinguishable. The low-frequency (ω→ 0) modes are derived from acoustic branches of the sheet. The radial modes can be identified with ω→ 584 cm^???1. High-frequency regime is above 1200 cm^???1 (i.e. ZO mode) and consists of TO and LO modes. The phonons in a nanotube can be derived from zone folding method using phonons of a single layer of the hexagonal sheet. The present work aims to explore the agreement between theory and experiment. A better knowledge of the phonon dispersion of graphene is highly desirable to model and understand the properties of carbon nanotubes. The development and production of carbon nanotubes (CNTs) for possible applications need reliable and quick analytical characterization. Our results may serve as an accurate tool for the spectroscopic determination of the tube radii and chiralities.     

A new temperature-dependent equation of state of solids

In the present paper, a temperature-dependent equation of state (EOS) of solids is discussed which is found to be applicable in high-pressure and high-temperature range. Present equation of state has been applied in 18 solids. The calculated data are found in very good agreement with the data available from other sources.     

Optimal control of vibrational transitions of HCl

Control of fundamental and overtone transitions of a vibration are studied for the diatomic molecule, HCl. Specifically, the results of the effect of variation of the penalty factor on the physical attributes of the system (i.e., probabilities) and pulse (i.e., amplitudes) considering three different pulse durations for each value of the penalty factor are shown and discussed. We have employed the optimal control theory to obtain infrared pulses for selective vibrational transitions. The optimization of initial guess field with Gaussian envelope, phrased as maximization of cost functional, is done using the conjugate gradient method. The interaction of the field with the molecule is treated within the semiclassical dipole approximation. The potential and the dipole moment functions used in the calculations of control dynamics are obtained from high level ab-initio calculations.     

Coherent nonlinear electromagnetic response in twisted bilayer and few-layer graphene

The phenomenon of Rabi oscillations far from resonance is described in bilayer and few-layer graphene. These oscillations in the population and polarization at the Dirac point in n-layer graphene are seen in the nth harmonic term in the external driving frequency. The underlying reason behind these oscillations is attributable to the pseudospin degree of freedom possessed by all these systems. Conventional Rabi oscillations, which occur only near resonance, are seen in multiple harmonics in multilayer graphene. However, the experimentally measurable current density exhibits anomalous behaviour only in the first harmonic in all the graphene systems. A fully numerical solution of the optical Bloch equations is in complete agreement with the analytical results, thereby justifying the approximation schemes used in the latter. The same phenomena are also described in twisted bilayer graphene with and without an electric potential difference between the layers. It is found that the anomalous Rabi frequency is strongly dependent on twist angle for weak applied fields – a feature absent in single-layer graphene, whereas the conventional Rabi frequency is relatively independent of the twist angle.     

Performance evaluation of self-breakdown-based single-gap plasma cathode electron gun

This paper presents the experimental studies on self-breakdown-based single-gap plasma cathode electron (PCE) gun (5–20 kV/50–160 A) in argon, gas atmosphere and its performance evaluation based on particle-in-cell (PIC) simulation code ‘OOPIC-Pro’. The PCE-Gun works in conducting phase (low energy, high current) of pseudospark discharge. It produces intense electron beam, which can propagate more than 200 mm in the drift space region without external magnetic field. The profile of this beam in the drift space region at different breakdown conditions (i.e., gas pressures and applied voltages) has been studied and the experimental results are compared with simulated values. It is demonstrated that ～30% beam current is lost during the propagation possibly due to space charge neutralization and collisions with neutral particles and walls.     

An <Emphasis Type="BoldItalic">n</Emphasis>-dimensional pseudo-differential operator involving the Hankel transformation

An n-dimensional pseudo-differential operator (p.d.o.) involving the n-dimensional Hankel transformation is defined. The symbol class H ^m is introduced. It is shown that p.d.o.’s associated with symbols belonging to this class are continuous linear mappings of the n-dimensional Zemanian space H_m(Iⁿ)H_\mu(I^n) into itself. An integral representation for the p.d.o. is obtained. Using the Hankel convolution, it is shown that the p.d.o. satisfies a certain L ¹-norm inequality.     

A variational analysis of soliton switching in an NLDC with saturating non-linearity

A comparative analysis of soliton switching in a non-linear directional coupler with saturating non-linearity is carried out by a variational method. Two models of fractional non-linearity, one the usual unaveraged and the other obtained after averaging over the fibre cross-section, are considered. It is shown that the switching characteristics differ (for the same set of fibre parameters), qualitatively as well as quantitatively, for these models. The soliton switching characteristics in both the models are obtained, compared and discussed.