Effect of the shape of a nano-object on quantum-size states

Abstract

In this paper, we propose an original functional method that makes it easy to determine the effect of any deviation in the shape of a nano-object from the well-studied shape (e.g., spherical) on the quantum characteristics of charge localized inside the nano-object. The maximum dimension of the object is determined by the magnitude of influence of quantum-size effects on quantum states of charge, and is limited by 100 nm. This method is ideologically similar to the perturbation theory, but the perturbation of the surface shape, rather than the potential, is used. Unlike the well-known variational methods of theoretical physics, this method is based on the assumption that the physical quantity is a functional of surface shape. Using the method developed, we present the quantum-size state of charges for two different complex shapes of nano-objects. The results from analyzing the quantum-size states of charge in the nano-objects with a deformed spherical shape indicated that the shape perturbations have a larger effect on the probability density of locating a particle inside the nano-object than on the surface energy spectrum and quantum density of the states.