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

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…
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February 24, 2021 0