Diffusion of Ge Donors in β‐Ga2O3

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Diffusion of Ge donors in β‐Ga2O3 is studied using a combination of secondary‐ion mass spectrometry, diffusion simulations, and first‐principles calculations, and compared to previous studies on Sn diffusion. Ge is implanted into (01)‐oriented samples and annealed at temperatures from 900 to 1050 °C for a total of 8 h. From previous first‐principles calculations, Sn is predicted to diffuse via the formation of a mobile complex with VGa that migrates through a sequence of exchange and rotation jumps. Herein, it is similarly predicted that Ge diffusion is mediated by VGa. However, the microscopic mechanism differs, as Ge can diffuse more easily through exchange combined with complex dissociation, rather than rotational jumps. This is explained by the difference in Ga‐site preference of Ge compared to Sn, and the three‐split mechanism that enables low migration barriers for VGa. The dissociation mechanism leads to a considerably faster transport for Ge as compared to Sn. The experimentally obtained Ge diffusion profiles are successfully fitted using a reaction–diffusion model based on the predicted diffusion mechanism, yielding a migration barrier of 2.5 ± 0.2 eV for the complex. The 2.72 eV obtained from first‐principles calculations is in good agreement with this value.