Ground state electron energies in sp3 hybridized Si and C atoms in 4H-SiC calculated from Ionization energies

Abstract

In this research article, the ionization electron energies of sp³ hybridized Si and C atoms in 4H-SiC are calculated.  The Si and C atoms are bonded tetrahedrally in 4H-SiC.  The potential energy difference is found to be 0.13 eV from the ionization energies.  The minimum number of Si-C bilayers are further calculated as 25 in 4H-SiC to give a theoretical bandgap of the bulk material as 3.25 eV, very close to the value of 3.26 eV calculated by applying the density functional theory.