The Strictural and Electronic properties of Silicon using the density functional theory.

Abstract

The structural and electrical properties of silicon are fundamental to understanding its behavior in semiconductor applications among others, particularly in electronic devices.

This study utilizes the Density Functional Theory (DFT) to investigate the atomic structure, stability, and electronic characteristics of silicon in its various forms with specific emphasis on the lattice constant and band structure as stated in the specific objectives.

The results provide an understanding of the relationship between atomic structure and electronic behavior in silicon, offering insights into optimizing its performance in future technological applications such as transistors, photovoltaic cells, and integrated circuits.

Through this theoretical approach, the gap between experimental observations and the fundamental physical principles that govern the behavior of silicon at the atomic and electronic levels will be bridged.

This study demonstrates the power of DFT in predicting and interpreting the intricate relationship between structural stability and electrical performance, which is crucial for advancing the development of high-performance silicon-based devices.