Electronic structure modification in Fe-substituted β-Ga2O3 from resonant photoemission and soft x-ray absorption spectroscopies

Abstract

Oriented thin films of β-(Ga1−x Fe x )2O3 were deposited by radio frequency magnetron sputtering on c-Al2O3 and GaN substrates. The itinerant character of the Fe 3d states forming the top of the valence band (VB) of the Fe-substituted β-Ga2O3 thin films has been determined from resonant photoelectron spectroscopy. Further, the admixture of the itinerant and localized characters of these Fe 3d states has been obtained for larger binding energies; i.e. deeper in the VB. The bottom of the conduction band (CB) for β-(Ga1−x Fe x )2O3 has been also found to have strongly hybridized states involving Fe 3d and O 2p states compared to that of Ga 4s in pristine β-Ga2O3. This suggests that β-Ga2O3 transforms from a band-like system to a charge-transfer system with Fe substitution. Furthermore, the bandgap red shifts with Fe composition, which has been found to be primarily related to the shift of the CB edge.