The electron bandstructure for gallium arsenide (zincblende structure) was calculated using the program Quantum Espresso (version 5.3.0). GaAs is a compound semiconductor material with a direct bandgap of 1.424 eV. At the figure below, one can see that the bandgap in the calculation is a little smaller than expected, but the course of the lines correlates to comparative data (cf. SciRes) .

The outcoming data of Quantum Espresso were prepared by a Matlab-Script. The script allows to choose a order of symmetry points and plots the corresponding bandstructure. Also the density of states can be plotted.

- GaAs_bandstructure_plot (script to plot results)

- GaAs.scf.in (SCF calculation, pw.x)
- GaAs.bands.in (Band calculation, pw.x)
- GaAs.bands.kp.in (Band projection, bands.x)

GaAs_data.zip Zincblende structure of GaAs Source: Wikipedia