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Journal of Nanomaterials
Volume 2016, Article ID 7139084, 8 pages
http://dx.doi.org/10.1155/2016/7139084
Research Article

The Luminescent Properties and Atomic Structures of As-Grown and Annealed Nanostructured Silicon Rich Oxide Thin Films

CIDS-ICUAP Benemérita Universidad Autónoma de Puebla, C.U., Edif. 103 C-D, Col. San Manuel, 72570 Puebla, PUE, Mexico

Received 5 June 2016; Revised 10 September 2016; Accepted 3 October 2016

Academic Editor: Wenrui Zhang

Copyright © 2016 N. D. Espinosa-Torres et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Not long ago, we developed a theoretical model to describe a set of chemical reactions that can potentially occur during the process of obtaining Silicon Rich Oxide (SRO) films, an off stoichiometry material, notwithstanding the technique used to grow such films. In order to elucidate the physical chemistry properties of such material, we suggested the chemical reactions that occur during the process of growing of SRO films in particular for the case of the Low Pressure Chemical Vapor Deposition (LPCVD) technique in the aforementioned model. The present paper represents a step further with respect to the previous (published) work, since it is dedicated to the calculation by Density Functional Theory (DFT) of the optical and electronic properties of the as-grown and annealed SRO structures theoretically predicted on the basis of the previous work. In this work, we suggest and evaluate either some types of molecules or resulting nanostructures and we predict theoretically, by applying the DFT, the contribution that they may have to the phenomenon of luminescence (PL), which is experimentally measured in SRO films. We evaluated the optical and electronic properties of both the as-grown and the annealed structures.