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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.

Abstract In this work, a systematic photoluminescence (PL) study on three series of gallium oxide/aluminum gallium oxide films and bulk single crystals is performed including comparing doping, epitaxial substrates, and aluminum concentration. It is observed that blue/green emission intensity strongly correlates with extended structural defects rather than the point defects frequently assumed. Bulk crystals or Si-doped films homoepitaxially grown on (010) β-Ga2O3 yield an intense dominant UV emission, while samples with extended structural defects, such as gallium oxide films grown on either (-201) β-Ga2O3 or sapphire, as well as thick aluminum gallium oxide films grown on either (010) β-Ga2O3 or sapphire, all show a very broad PL spectrum with intense dominant blue/green emission. PL differences between samples and the possible causes of these differences are analyzed. This work expands previous reports that have so far attributed blue and green emissions to point defects and shows that in the case of thin films, extended defects might have a prominent role in emission properties.

Gallium oxide (Ga2O3) is a promising semiconductor for next-generation high-power electronics due to its ultra-wide bandgap and high critical breakdown field. To utilize its unique electrical properties for real-world applications, an accurate description of its electronic structure under device-operating conditions is required. Although the majority of first-principles models focus on the ground state, temperature effects govern the key properties of all semiconductors, including carrier mobility, band edge positions, and optical absorption in indirect gap materials. We report on the temperature-dependent electronic band structure of β-Ga2O3 in a wide temperature range from T = 0 to 900 K using first-principles simulations and optical measurements. Band edge shifts from lattice thermal expansion and phonon-induced lattice vibrations known as electron–phonon renormalization are evaluated by utilizing the quasi-harmonic approximation and the recently developed “one-shot” frozen phonon method, respectively. Electron–phonon effects and thermal expansion together induce a substantial temperature-dependence on the bandgap, reducing it by more than 0.5 eV between T = 0 and 900 K, larger than that observed in other wide bandgap materials. Key implications, including an increase in carrier concentrations, a reduction in carrier mobilities due to localization of band edge states, and an ∼20% reduction in the critical breakdown field, are discussed. Our prediction of temperature-dependent bandgap matches very well with experimental measurements and highlights the importance of accounting for such effects in first-principles simulations of wide bandgap semiconductors.

This paper reports on the modulation of Schottky barrier heights (SBH) on three different orientations of β-Ga2O3 by insertion of an ultra-thin SiO2 dielectric interlayer at the metal-semiconductor junction, which can potentially lower the Fermi-level pinning (FLP) effect due to metal-induced gap states (MIGS). Pt and Ni metal-semiconductor (MS) and metal-interlayer-semiconductor (MIS) Schottky barrier diodes were fabricated on bulk n-type doped β-Ga2O3 single crystal substrates along the (010), (-201) and (100) orientations and were characterized by room temperature current-voltage (I-V) and capacitance-voltage (C-V) measurements. Pt MIS diodes exhibited 0.53 eV and 0.37 eV increment in SBH along the (010) and (-201) orientations respectively as compared to their respective MS counterparts. The highest SBH of 1.81 eV was achieved on the (010)-oriented MIS SBD using Pt metal. The MIS SBDs on (100)-oriented substrates exhibited a dramatic increment (> 1.5 ×) in SBH as well as reduction in reverse leakage current. The use of thin dielectric interlayers can be an efficient experimental method to modulate SBH of metal/Ga2O3 junctions.

Native defects are ubiquitous especially in compound semiconductors and dominate the properties of many materials. Applying first principles calculations, we propose a novel strategy to tune native defect populations in Cu2ZnSn(S,Se)4 which is an emerging photovoltaic absorber material. The formation of Cu vacancies (VCu), which are predicted to be shallower acceptors than Cu on Zn antisites (CuZn), can be greatly promoted by compressive strain. Additionally, nonlinearities are found in the strain dependence of the VCu formation energy. Both uniform and non-uniform strains may be present in physical samples implying probable variations in native defect concentrations.

We report on the silicon delta doping of metalorganic vapor-phase epitaxy grown β-Ga2O3 thin films using silane as a precursor. The delta-doped β-Ga2O3 epitaxial films are characterized using capacitance–voltage profiling and secondary-ion mass spectroscopy. The sheet charge density is in the range of 2.9 × 1012 cm−2 to 9 × 1012 cm−2 with an HWHM (towards the substrate) ranging from 3.5 nm to 6.2 nm. We also demonstrate a high-density (ns: 6.4 × 1012 cm−2) degenerate electron sheet charge in a delta-doped β-(Al0.26Ga0.74)2O3/β-Ga2O3 heterostructure. The total charge could also include a contribution from a parallel channel in the β-(Al0.26Ga0.74)2O3 alloy barrier. [ABSTRACT FROM AUTHOR]

The combination of group-V element doping and Cd-rich composition is the most promising current strategy for maximizing p-type doping while preserving long lifetime. In this study, we carefully measure the equilibrium p-type doping limit for As-doped Cd-rich CdTe single crystals and demonstrate a doping limit in the low 1017 cm−3 range upon slow cooling. We present evidence for self-compensation with rapidly decreasing doping efficiency per added As above 5 × 1016 cm−3, yet we also demonstrate CdTe with >1017 cm−3 hole concentration and bulk lifetime >30 ns. Such crystals allow As-doped CdTe photovoltaic devices with open-circuit voltage exceeding 900 mV. [ABSTRACT FROM AUTHOR]

Herein, we review the remarkable range of modifications to materials properties associated with photoexcitation of the growth surface during physical vapor epitaxy of semiconductors. We concentrate on mechanisms producing measureable, utilizable changes in crystalline perfection, phase, composition, doping, and defect distribution. We outline the relevant physics of different mechanisms, concentrating on those yielding effects orthogonal to the primary growth variables of temperature and atomic or molecular fluxes and document the phenomenological effects reported. Based on experimental observations from a range of semiconductor systems and growth conditions, the primary effects include enhanced anion desorption, molecular dissociation, increased doping efficiency, modification to defect populations and improvements to the crystalline quality of epilayers grown at low temperatures. Future research directions and technological applications are also discussed. [ABSTRACT FROM AUTHOR]