The internal quantum efficiency (IQE) of Al0.55Ga0.45N/AlN and Al0.55Ga0.45N/Al0.85Ga0.15N UVC MQW structures was analyzed. The use of bulk AlN substrates enabled us to undoubtedly distinguish the effect of growth conditions, such as V/III ratio, on the optical quality of AlGaN based MQWs from the influence of dislocations. At a high V/III ratio, a record high IQE of ∼80% at a carrier density of 1018 cm−3 was achieved at ∼258 nm. The high IQE was correlated with the decrease of the non-radiative coefficient A and a reduction of midgap defect luminescence, all suggesting that, in addition to dislocations, point defects are another major factor that strongly influences optical quality of AlGaN MQW structures.

AlN epitaxial thin films were grown on both vicinal (0001)-oriented native single crystal AlN substrates and AlN templates grown on vicinal (0001)-oriented sapphire to develop a surface kinetic framework for the control of surface morphology. A Burton, Cabrera, and Frank (BCF) theory-based model is formulated and utilized to understand the dependence of the surface kinetics on the vapor supersaturation, σ, and substrate misorientation angle, α. The surface energy of the Al-polar surface of AlN was experimentally determined using BCF theory to be 149 ± 8 meV/Å 2. The critical misorientation angle for the onset of step-bunching was determined to be ~ 0.25° for a growth rate of 500 nm/hr and temperature of 1250ºC. Transitioning from a surface with 2D nuclei to one with bilayer steps required a decrease in σ or an increase in α, whereas the suppression of step-bunching required an increase in σ or a decrease in α.

Metal-polar, Al-rich AlGaN films were grown on both single crystalline AlN and sapphire substrates. The role of surface morphology and surface kinetics on AlGaN composition is presented. With the reduced dislocation density of the films grown on AlN substrates, atomically smooth bilayer stepped surfaces are achieved with RMS roughness of less than 50 pm for a 5x5 µm 2 AFM scan area. By controlling the surface supersaturation through adjusting the growth rate, a transition from 2D nucleation to step flow was observed. The critical misorientation angle for step-bunching in nominal Al 0.70 Ga 0.30 N grown with a growth rate of 600 nm/hr on AlN substrates was found to be 0.4°. The composition of bilayer stepped AlGaN was strongly dependent on substrate misorientation angle, where a compositional variation by a factor of two for a change in misorientation angle from 0.05 to 0.40° was observed; this is explained by the different surface diffusion lengths of Ga and Al. Step-bunching resulted in strong compositional inhomogeneity as observed by photoluminescence and scanning transmission electron microscopy studies.

Controllable n-type doping over wide ranges of carrier concentrations in AlN, or Al-rich AlGaN, is critical to realizing next-generation applications in high-power electronics and deep UV light sources. Silicon is not a hydrogenic donor in AlN as it is in GaN; despite this, the carrier concentration should be controllable, albeit less efficiently, by increasing the donor concentration during growth. At low doping levels, an increase in the Si content leads to a commensurate increase in free electrons. Problematically, this trend does not persist to higher doping levels. In fact, a further increase in the Si concentration leads to a decrease in free electron concentration; this is commonly referred to as the compensation knee. While the nature of this decrease has been attributed to a variety of compensating defects, the mechanism and identity of the predominant defects associated with the knee have not been conclusively determined. Density functional theory calculations using hybrid exchange-correlation functionals have identified VAl+nSiAl complexes as central to mechanistically understanding compensation in the high Si limit in AlN, while secondary impurities and vacancies tend to dominate compensation in the low Si limit. The formation energies and optical signatures of these defects in AlN are calculated and utilized in a grand canonical charge balance solver to identify carrier concentrations as a function of Si content. The results were found to qualitatively reproduce the experimentally observed compensation knee. Furthermore, these calculations predict a shift in the optical emissions present in the high and low doping limits, which is confirmed with detailed photoluminescence measurements.

In order to understand the influence of dislocations on doping and compensation in Al-rich AlGaN, thin films were grown by metal organic chemical vapor deposition (MOCVD) on different templates on sapphire and low dislocation density single crystalline AlN. AlGaN grown on AlN exhibited the highest conductivity, carrier concentration, and mobility for any doping concentration due to low threading dislocation related compensation and reduced self-compensation. The onset of self-compensation, i.e., the “knee behavior” in conductivity, was found to depend only on the chemical potential of silicon, strongly indicating the cation vacancy complex with Si as the source of self-compensation. However, the magnitude of self-compensation was found to increase with an increase in dislocation density, and consequently, AlGaN grown on AlN substrates demonstrated higher conductivity over the entire doping range.