Scandium occupancy and unique extended defect formation in alloyed single crystals
Phys. Rev. Materials 10, 104603 – Published 27 October, 2026
DOI: https://doi.org/10.1103/x8px-56tv
Abstract
A range of alloying candidates have been identified for beta gallium oxide () as a means of tuning its electronic properties, primarily the band gap. Scandium has been recognized as a promising alloying candidate, but its effect on 's electronic, structural, and defect behavior must be better understood to enable further development. Here, Czochralski-grown (100) crystals were investigated using atomic-resolution scanning transmission electron microscopy, monochromated electron energy loss spectroscopy, and first-principles simulations. These results show that Sc preferentially occupies octahedral Ga sites and increases the material's band gap from 4.8 eV to 4.92 eV when alloyed with 10 mol% Sc. It is also demonstrated that the alloying of Sc can result in unique extended defect formation in both intrinsic and mechanically deformed . The structure of a unique planar defect in the as-grown crystal was determined to be a set of closely spaced, (100)-oriented stacking faults resulting in a unique atomic projection. Mechanical deformation of the crystal, performed to help understand intrinsic defect structure, resulted in the identification of an atomic configuration within a stacking fault heavily influenced by local strain, which we term a “strained stacking fault”. No widespread formation of point defects or dislocations was observed in the as-grown crystal. These results reveal the ability of unique extended defects, such as multiple stacking faults in close proximity, to form in systems when alloyed. These findings provide insight into the potential of alloys to produce substrates with a range of electronic and structural properties, enabling further development of for next-generation power semiconductor applications.