Simulação do confinamento eletrônico em sistemas moleculares utilizando átomos fantasmas

Abstract

Realizing about diversity of nanostructures use in generating compounds with diversified and very precise geometries, making use of approaches that include differential geometry components seems a reasonable path. From this perspective, we employ electronic confinement in nanostructures through computational, intrinsic and extrinsic approaches, which allow preliminary studies in the development of new electronic devices of greater sophistication. This work, therefore, seeks to study the confinement of 1 and 2 electrons in one-dimensional structures (linear, circular, linear with curves and similar to paraboles), analyze their energy spectra, charge distributions from computer simulations and compare them with theoretical models. We present load distribution results that proved to be adequate for theoretical models.