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Diffusion of native defects such as vacancies and their interactions with impurities are fundamental to semiconductor crystal growth, device processing, and design. However, the transient equilibration of native defects is difficult to directly measure. We used (AlxGa1−x)2O3/Ga2O3 superlattices (SLs) to detect and analyze transient diffusion of cation vacancies during annealing in O2 at 1000–1100 °C. Using a novel finite difference scheme for diffusion with time- and space-varying diffusion constants, we determined diffusion constants for Al, Fe, and cation vacancies, including the vacancy concentration dependence for Al. In the case of SLs grown on Sn-doped β-Ga2O3 (010) substrates, gradients observed in the extent of Al diffusion indicate a supersaturation of vacancies in the substrates that transiently diffuse through the SLs coupled strongly to Sn and thus slowed compared to undoped cases. In the case of SLs grown on (010) Fe-doped substrates, the Al diffusion is uniform through the SLs, indicating a depth-uniform concentration of vacancies. We find no evidence for the introduction of VGa from the free surface at rates sufficient to affect Al diffusion at at. % concentrations, establishing an upper bound on surface injection. In addition, we show that unintentional impurities in Sn-doped Ga2O3 such as Fe, Ni, Mn, Cu, and Li also diffuse toward the surface and accumulate. Many of these likely have fast interstitial diffusion modes capable of destabilizing devices, thus suggesting that impurities may require further reduction. This work provides a method to measure transients in diffusion-mediating native defects otherwise hidden in common processes such as ion implantation, etching, and film growth. 

Thermoelectrics (TEs) are an important class of technology that harvest electric power directly from heat sources. When designing both high performance and environmentally friendly TE materials, the pseudo-cubic structure has great theoretical potential to maximize the dimensionless figure of merit ZT . The TE multinary single crystal with a pseudo-cubic structure paves a new path toward manipulating valley degeneracy and anisotropy with low thermal conductivity caused by short-range lattice distortion. Here, we report a record high ZT = 1.6 around 800 K realized in a totally environmentally benign p-type Na-doped Cu 2 ZnSnS 4 (CZTS) single crystal. The exceptional performance comes from a high power factor while maintaining intrinsically low thermal conductivity. The combination of the pseudo-cubic structure and intrinsic properties of the CZTS single crystal takes advantage of simple material tuning without complex techniques. 

In this work, we report the different effects of CdCl 2 treatment on CdTe films deposited by thermal evaporation onto CdS and MgZnO (MZO) buffer layers. The main finding, which is relevant for understanding recent advances in CdTe device efficiency, is that few-μm thick CdTe films deposited on MZO can be induced to completely recrystallize forming a film consisting of grains that span the film thickness and are up to 30 μm laterally. On CdS buffer layers, the changes in microstructure with Cl treatment are much less pronounced and the final microstructure is less ideal for thin film photovoltaics. We propose a thermodynamic framework for understanding the microstructural changes during CdCl 2 treatment which can assist in understanding the wide range of behaviors observed across the many CdTe thin film solar cell fabrication procedures.