Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...

to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

in this paper a new optical channel drop filter (cdf) based on two dimensional (2-d) photonic crystals (phc) with hexagonal shaped structure is proposed and numerically demonstrated by using the finite-difference-time-domain (fdtd) and plane-wave-expansion (pwe) techniques. photonic crystals (phcs) are artificial dielectric nanostructure materials in which a periodic modulation of the material ...