Infrared ellipsometry on hexagonal and cubic boron nitride thin films" (1997).

the electronic and structural properties of pristine and carbon doped (c-doped) boron nitride nano-ribbons(bnnrs) have been studied employing density functional theory (dft) calculations. total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated bnnrs. the results indicated that the stability and gap ...

A unique, all-ceramic material capable of nonbrittle fracture via crack deflection and delamination has been mechanically characterized from 25° through 1400°C. This material, fibrous monoliths, was comprised of unidirectionally aligned 250 mm diameter silicon nitride cells surrounded by 10 to 20 mm thick boron nitride cell boundaries. The average flexure strengths of fibrous monoliths were 510...

Past molecular dynamics studies of boron-nitride nanotubes have used van der Waals parameters from generic force fields, combined with various values for the partial charges on the boron and nitrogen atoms. This paper explores the validity of these parameters by first using quantum chemical packages CPMD and Gaussian to compute partial charges for isolated and periodic boron nitride nanotubes, ...

The presence of capping materials during annealing (activation for example) can substantially impact the silicon junction profiles of Complementary Metal Oxide Semiconductor Field Effect Transistors (CMOSFET), depending on the nature of these layers. In this paper we specifically investigated the boron out-diffusion from a silicon junction into the silicon oxide in presence of a silicon oxide/s...

Using density functional theory we investigate the electronic and atomic structure of fullerene-like boron nitride cage structures. The pentagonal ring leads to the formation of homonuclear bonds. The homonuclear bonds are also found in other BN structures having pentagon line defect. The calculated thermodynamics and vibrational spectra indicated that, among various stable configurations of BN...

We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...