Investigação das Propriedades Estruturas e Eletrônicas do CdSe e CdTe utilizando métodos de primeiros Princípios.

Abstract

The motivation for the study of inorganic semiconductors with high electron affinity has been the possibility of technological applications in photodetectors, photovoltaic and others. CdSe and CdTe have drawn considerable attention in recent years because they have interesting electonic features and have been successfully used as electron transporting layer in organic-inorganic hybrid devices. In order to describe the electronic properties of the CdSe and CdTe in the bulk form, we present a theoretical investigation based on first principle methods of Density Functional Theory (DFT). Our findings demonstrate that our methodology is appropriate and can be used to describe the electronic properties of these materials. Based on results discussed here, we are confident to use this approach to investigate nanostructures of CdSe and CdTe.