Electronic structure and elastic moduli of the simple cubic fullerite C24—A new allotropic carbon modification

The energy band structure, equation of state, density of states, and elastic moduli of a new allotropic carbon modification, namely, fullerite C₂₄ with a simple cubic lattice (known previously as cubic graphite), are calculated by the full-potential linearized augmented-plane-wave (FLAPW) method with geometry optimization for the first time. The dependence of the total energy on the lattice constant exhibits a minimum for a ₀ = 0.60546 nm. In this case, the lengths of the C-C bonds between fullerene molecules, the lengths of the 6,6-bonds shared by hexagons, and the lengths of the 4,6-bonds shared by a square and a hexagon are equal to 0.1614, 0.1503, and 0.1637 nm, respectively. An analysis of the energy band structure and the density of states demonstrates that the simple cubic fullerite C₂₄ is a direct-band-gap insulator or a semiconductor with a band gap of 1.6 eV. The calculated bulk modulus B ₀ = 196 GPa and the elastic moduli C ₁₁ = 338 GPa, C ₁₂ = 139 GPa, and C ₄₄ = 30 GPa indicate that the fullerite under investigation is a mechanically stable material. The inference is made that the simple cubic fullerite C₂₄ is a new diamond-like molecular zeolite with a unique combination of properties, such as the porosity and nonpolarizability, on the one hand, and the mechanical strength, chemical inertness, and high thermal conductivity, on the other hand. The simple cubic fullerite C₂₄ can be considered a promising low-dielectric-constant (low-k) material (?₀ < 5.7) for use in fabricating interconnections and substrates intended for integrated circuits and nanoelectronics.     

Propagation of a focused light beam in a circuital system of tunnel-coupled waveguides

The propagation of a pencil beam in a circuital system of tunnel-coupled waveguides is considered. It is shown that the beam periodically focuses into a point when moving along the trajectory. A maximal number of waveguides supporting the propagation of the beam can be estimated in simple terms. The cross-sectional area of the waveguides can be subdivided into three zone with the beam pulsing only in the central one.     

Nonlinear-optical and micro-Raman diagnostics of thin films and nanostructures of ABO3 ferroelectrics

Ferroelectric composite two-dimensional ferroelectric/aluminum oxide nanostructures were studied. A porous aluminum oxide matrix was used as a template into which a ferroelectric precursor was introduced, followed by annealing. The prepared nanostructures were studied using optical second harmonic generation and micro-Raman scattering.     

Electric currents generated by space-charge waves in high-resistivity semiconductors

Currents in high-resistivity semiconductors arising due to the rectification of space-charge waves are theoretically studied. Attention is primarily focused on the situation where the effective trap concentration is low. It is shown that, in this case, the dispersion law of trap-recharging waves changes from the inverse proportionality to a linear law and the drift waves no longer exist. In crystals with bipolar conduction, there are two modes of trap-recharging waves with a linear dispersion law. The dc and ac currents are found for the first time as functions of the trap concentration, the mobility and lifetime of carriers, the wavenumber of space-charge waves, and the applied electric field.     

Metallic films forming on the surface of alkali-halide crystals during thermal diffusion of intracrystalline immpurities

It was detected for the first time that films consisting of a transition-metal-based structure form (via thermal diffusion of intracrystalline impurities) on the surface of alkali-halide (LiF, NaF) crystals activated by transition metals Co, Ni, or Mn. The thickness, density, and composition of the films are shown to be different, depending on the heat treatment conditions. The crystals were annealed at temperatures varying from 473 to 1073 K in vacuum and air. The surface structures forming upon annealing in vacuum exhibit magnetic properties. The films were studied by optical, x-ray fluorescence, and electron spectroscopy to reveal the mechanisms of transition-metal film formation during thermal annealing.     

On the quantization of solid body rotation

A general method for solving the problem of quantization of a top is proposed that allows for finding the Hamiltonian eigenfunctions in the form of polynomials of various degree n in the Cartesian coordinates with the use of the Lamé functions. All three coordinates x, y, and z are equivalently involved in computations, as well as their relations with ellipsoidal coordinates, which makes the computations symmetric.     

Polymeric derivatives of dipterocarpol, a dammarane triterpenoid

Polymeric derivatives of dammarane triterpenoids with both labile and strong (covalent) polymer-triterpenoid bonds were prepared from N-vinylpyrrolidone copolymers.