Study of Electronic Properties of Nanocrystals from Different Points of View: From a Simple 2D Electrostatic Approach to 3D Poisson-Schrödinger Simulations

D. Deleruyelle[1], A. Guiraud2, and G. Micolau2
1Université Provence (Aix-Marseille I), Marseille, France
2Université Paul Cézanne (Aix-Marseille III), Marseille, France

In this paper, a study of the electronic properties of nanocrystals is presented. During this work, COMSOL Multiphysics has been used to develop various approaches to study the evolution of the floating potential of a single nanocrystal embedded in a dielectric medium.

First of all, we considered the nanocrystal as a perfect conductor and applied a simple 2D electrostatic treatment, using floating potential boundary conditions on the island. We compared these results to a semi-analytical approach based on Green functions and showed their excellent quantitative agreement.

This problem was easily extended to 3D structures in which the coupling capacitances were extracted, allowing the prediction of the floating potential with a simple equivalent capacitor model.