Department of Physics, University of Agriculture, Makurdi, Benue. Nigeria. E-mail: ajax5use@gmail.com
Online published on 4 January, 2018.
The band gap of some selected semiconductors which have the zincblende crystal structure were computed using the density functional theory with different meta-GGA functionals. The results showed that the meta-GGA functionals TPSS, M06L, TB09 and RPP09 gave the closest band gap values of these selected semiconductors which are in good agreement with the experimental values. These results have shown that the meta-GGA functionals can be relied upon for the prediction of band gap of semiconductors.
II-VI Semiconductors, III-V Semiconductors, Band gap, Density functional theory, meta-GGA functional theory, Semiconductor
