Empirical Model for Accurate Bandgap Prediction in Cubic Solids
Adewumi I. Popoola & Babatunde S. Falaye · Journal of Materials Science Research and Reviews · 2020
An empirical model is developed and tested on cubic solids for the calculation of bandgaps. The dataset for the model is derived from a semi-local approximation in which the local density approximation (LDA) treats the exchange-correlation energy and potential. The agreement betw...
Open access
Research Article