Empirical Model for Accurate Bandgap Prediction in Cubic Solids
Adewumi I. Popoola *
Department of Physics, Federal University of Technology, P.M.B. 704, Akure, Nigeria.
Babatunde S. Falaye
Department of Physics, Federal University of Technology, P.M.B. 704, Akure, Nigeria.
*Author to whom correspondence should be addressed.
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.
Keywords: Semi-local approximation, exchange-correlation energy, bandgap, cubic solids.