Klaus Magnus H. Johansen

Zn-related defects in β-Ga2O3 were studied using photoluminescence (PL) spectroscopy combined with hybrid functional calculations and secondary ion mass spectrometry. We have in-diffused Zn by heat treatments of β-Ga2O3 in Zn vapor to promote the formation of the ZnGaZni complex as the dominating Zn configuration. Subsequently, we did heat treatment in oxygen ambient to study the dissociation of the donor complex ZnGaZni into the ZnGa acceptor. The PL spectra revealed a broad band centered at 2.5 eV. The signature has a minor contribution to the overall emission of as-grown and Zn-annealed samples but increases dramatically upon the subsequent heat treatments. The theoretical predictions from hybrid functional calculation show emission energies of 2.1 and 2.3 eV for ZnGa10/− and ZnGa20/−, respectively, and given that the previously observed deviation between the experimental and calculated values for the self-trapped holes in β-Ga2O3 is about 0.2 eV, we conclude that the 2.5 eV emission we observe herein is due to the Zn acceptor.