The density of states for gallium phosphide (zincblende structure) was calculated using the program Quantum Espresso (version 5.3.0).
The parameters for GaP were taken from the following sites:
lattice constant
atomic properties
Bandgap in detail:
The calculated bandgap has a value of about 1.62 eV in comparison to a measured value of 2.26 eV (cf. reference value). The plots were not adjusted to the right bandgap.
Input files:
Output files:
E [eV] D(E) [unitcell-1eV-1]