Electronic Structure Calculation of CdSe Quantum Dots by Semi-empirical method

Abstract

The main objective of this work is to design and develop program to calculate the electronic structure of CdSe quantum dots with the zinc blende structure and study the effect of shapes and sizes on their electronic structures. CdSe quantum dots have an interesting optical properties which are useful in a wide range of applications such as in medical bioimaging and disease detection. In order to understand optical properties of quantum dots which are controlled by their electronic structure, we started to calculate the electronic structure of quantum dots using the semi-empirical tight-binding model. The calculated energy band gap decreases with increasing size of CdSe quantum dots, which also agrees well with the theory. The calculated results are still far from the experimental values because the electron-electron interactions are not included in this model.