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    Scandium occupancy and unique extended defect formation in alloyed β−(ScxGa1−x)2O3 single crystals

    Andrew R. Balog1,*,†, Channyung Lee2,*, Jani Jesenovec3,4, Leixin Miao1, Benjamin L. Dutton3,4, John S. McCloy3,4, Elif Ertekin2,5, and Nasim Alem1,‡

    • *These authors contributed equally to this work.
    • †Contact author: arb6059@psu.edu
    • ‡Contact author: nua10@psu.edu

    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 (β−Ga2O3) 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 β−Ga2O3's electronic, structural, and defect behavior must be better understood to enable further development. Here, Czochralski-grown (100) β−(Sc0.06Ga0.94)2O3 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 β−(Sc0.06Ga0.94)2O3. 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 β−Ga2O3 systems when alloyed. These findings provide insight into the potential of β−(ScxGa1−x)2O3 alloys to produce substrates with a range of electronic and structural properties, enabling further development of β−Ga2O3 for next-generation power semiconductor applications.

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