Atomic and electronic structure of single-walled BN nanotubes containing N vacancies as well as C and O substitutes of N atoms

Defective single-walled BN nanotubes of armchair- and zigzag-type chiralities with uniform diameter can be simulated using a total geometry optimization for the 1D-periodic model. For calculations, we have applied the formalism of localized Gaussian-type atomic functions using the Hamiltonian containing hybrid (DFT+HF) non-local exchange-correlation functional B3PW as implemented in CRYSTAL code. Single N vacancy as well as C and O substitutes of N atom cause an appearance of the energy levels inside the BN NT band gap accompanied by relaxation of the nearest atomic spheres closest to the point defect and electronic charge redistribution around it.     

Spin filtering through ballistic nanojunctions, the role of geometry and of spin orbit interaction

We suggest a spin filter scheme using T-stub nanometric crossjunctions patterned in two dimensional electron gases (2DEGs) in the presence of spin orbit interaction (SOI). We compare the effects of SOI arising from vertical confinement of charge carriers in the well, Rashba or α-SOI, with SOI generated by lateral confinement of the wire, β-SOI. We show that β coupling can be more effective in generating a spin polarized current as compared to α-SOI. We also compare the efficiency of the T-stub filter with the one of the X shaped cross junction.     

Impedance spectroscopy of reactive polymers. 2. Multifunctional epoxy/amine formulations

Dielectric measurements were utilized to follow the advancement of cure in a bifunctional and a tetrafunctional epoxy/amine formulation. In deferance to earlier dielectric studies of cure, complex impedance was measured and used to calculate ionic resistivity. By using complex impedance we were able to separate, according to their frequency dependence, the contributions to overall polarization from electrode blocking layers, mobile charge carriers, and dipole relaxations. At any stage of cure, there is a unique frequency at which ionic resistivity can be singularly measured. Our approach does not involve trial-and-error frequency search, it measures dielectric response in real time, and is conducive to the development of phenomenological models based on equivalent circuits. Values of ionic resistivity measured at different cure time and temperature were used to quantify the progress of cure. Excellent agreement was reported between the calculated values of normalized degree of cure obtained by dielectric and calorimetric measurements. It was suggested that apart from the extrinsic conductivity by ionic impurities, an intrinsic mechanism which involves the reactive molecules contributes to the overall ionic conductivity. © 1995 John Wiley & Sons, Inc.     

Broken supersymmetry in the matrix model on a circle

We consider the discretization of aD=2 surface using polygons. We map the surface onto superspace and integrate over surfaces of arbitrary genus, obtaining a discretized version of the Green-Schwarz string inD=1. Taking an unusual critical limit of the supersymmetric matrix model involved, we construct exact solutions, to all perturbative orders, for the discretized superstring in one dimension, both when the target space is a real line and when the theory is represented in terms of matrix variables on a circle of finite radius. We comment on the behavior of the compactfied perturbative expansion under duality transformations.BITNET: BELLUCCI at IRMLNF     

Conformal invariance of σ-models and classical string physics

We show that the identification of the conformal anomaly of the general bosonic two-dimensional non-linear σ-model as the generating functional for on-shell string scattering amplitudes is correct up toO(α′) terms. The absence, in the loop corrections to the spacetime effective action, of contributions from the explicit coupling to the dilaton field is suggested as a general feature for σ-models describing tree-level string physics.     

The reaction of triethylamine with bromine. An evaluation of the formation constant of the transient 1:1 complex and a study of its conversion into products.

Triethylamine and bromine in 1,2-dichloroethane give a non isolable 1:1 charge transfer complex with K_f>10⁷ M^?1, which undergoes a fast intramolecular oxidation to N,N-diethylethyldeneiminium bromide and hydrogen bromide.