Determination of the Energy Band Gap of Silicon Using Quantum Simulation for Photovoltaic Applications | Chapter 4 | Advanced Aspects of Engineering Research Vol. 2

This thesis deals with the study of the band structure and silicon state density using the first-principle pseudopotential approach, based on the functional density theory (DFT) and the plane-wave method as implemented in the Quantum Espresso kit (this is an open source program for electronic structure science, simulations, and material optimizations). The band gap value found varies from -0.2 and +0.6 eV. The peaks of- 3.0 eV to- 3.5eV and 5.50eV to 7.5eV for Si material can be observed from the DOS graph.

Author (s) Details

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.

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