Alloyed β-(AlxGa1-x)2O3 bulk Czochralski single β-(Al0.1Ga0.9)2O3 and polycrystals β-(Al0.33Ga0.66)2O3, β-(Al0.5Ga0.5)2O3), and property trends

In this work, bulk Czochralski-grown single crystals of 10 mol. % Al2O3 alloyed beta-Ga2O3-monoclinic 10% AGO or beta-(Al0.1Ga0.9)(2)O-3-are obtained, which show +0.20 eV increase in the bandgap compared with unintentionally doped beta-Ga2O3. Further, growths of 33% AGO-beta-(Al0.33Ga0.67)(2)O-3-and 50% AGO-beta-(Al0.5Ga0.5)(2)O-3 or beta-AlGaO3-produce polycrystalline single-phase monoclinic material (beta-AGO). All three compositions are investigated by x-ray diffraction, Raman spectroscopy, optical absorption, and Al-27 nuclear magnetic resonance (NMR). By investigating single phase beta-AGO over a large range of Al2O3 concentrations (10-50 mol. %), broad trends in the lattice parameter, vibrational modes, optical bandgap, and crystallographic site preference are determined. All lattice parameters show a linear trend with Al incorporation. According to NMR, aluminum incorporates on both crystallographic sites of beta-Ga2O3, with a slight preference for the octahedral (Ga-II) site, which becomes more disordered with increasing Al. Single crystals of 10% AGO were also characterized by x-ray rocking curve, transmission electron microscopy, purity (glow discharge mass spectroscopy and x-ray fluorescence), optical transmission (200 nm-20 mu m wavelengths), and resistivity. These measurements suggest that electrical compensation by impurity acceptor doping is not the likely explanation for high resistivity, but rather the shift of a hydrogen level from a shallow donor to a deep acceptor due to Al alloying. Bulk crystals of beta-(Al0.1Ga0.9)(2)O-3 have the potential to be ultra-wide bandgap substrates for thin film growth, with a lattice parameter that may even allow higher Al concentration beta-Ga2O3 single crystal thin films to be grown.

Automated summary

Different Al2O3 contents in β-AGO single crystals were investigated to determine the effects on lattice parameters, vibrational modes, optical bandgap, and crystallographic site preferences.