Determination of the Energy Band Gap of Silicon Using Quantum Simulation for Photovoltaic Applications

Authors

  • M. A. Bilya Department of Physics, Faculty of Natural and Applied Sciences, Nasarawa State University, Keffi, Nigeria.
  • M. U. Sarki Department of Physics, Faculty of Natural and Applied Sciences, Nasarawa State University, Keffi, Nigeria.
  • A. A. Mundi Department of Physics, Faculty of Natural and Applied Sciences, Nasarawa State University, Keffi, Nigeria.

DOI:

https://doi.org/10.9734/bpi/aaer/v2/2366E

Keywords:

DOS, energy band-gap, photovoltaic, pseudopotential, quantum simulation

Abstract

This research deals with the study of the band structure, and density of state of silicon, using the first-principles pseudopotential method, based on the density functional theory (DFT) and the plane-wave method as implemented into Quantum Espresso (this is an open source software for Research of the Electronic Structure, Simulations, and Optimizations of materials) package. The value of the band gap found ranges between -0.2 to +0.6 eV. From the DOS graph we can observe the peaks from – 3.0 eV to – 3.5eV, and 5.50eV to 7.5eV for Si Material.

Published

2021-02-18

How to Cite

M. A. Bilya, M. U. Sarki, & A. A. Mundi. (2021). Determination of the Energy Band Gap of Silicon Using Quantum Simulation for Photovoltaic Applications. Advanced Aspects of Engineering Research Vol. 2, 34–40. https://doi.org/10.9734/bpi/aaer/v2/2366E

Issue

Advanced Aspects of Engineering Research Vol. 2

Section

Chapters