| A molecular wire is defined as a single molecule which carries electric current between two metallic contacts. The study of molecular wires is a very active area of research. They have been successfully created experimentally, and the field of nanophysics has illuminated many of their properties. This thesis explores the principles that govern electroluminescence from molecular wires, a possible effect that has not been previously theoretically analyzed.; In this thesis, a generic model of a molecular wire is presented, and important results are discussed. The molecule and contacts are represented using a tight-binding approach, and molecular orbital occupations are determined with the help of Landauer theory. Hybridized molecular orbital transitions are considered as a possible source for photon emission, and the emission rate is obtained using Fermi's Golden Rule. Conditions under which significant photon emission should occur are identified and photon spectra are calculated. (Abstract shortened by UMI.)... |
