Empirical Model for Accurate Bandgap Prediction in Cubic Solids
Adewumi I. Popoola, Babatunde S. Falaye
Journal of Materials Science Research and Reviews · pp. 1–6 · Published 19 Feb 2020
Abstract
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 between obtained result and experimental data is very good and is of the same order as the more expensive methods.
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