Charge neutrality levels, barrier heights, and band offsets at polar AlGaN

In this work, the Fermi level and band alignment at c-plane surfaces and interfaces of AlGaN thin films grown on sapphire and native single crystalline AlN substrates were analyzed via x-ray photoelectron spectroscopy. The dependence of charge neutrality level (CNL) on Al composition is found to be linear with n-type Schottky barrier heights (Φbn) exhibiting an overall quadratic behavior due to bandgap bowing. A general theoretical expression for Schottky barrier height on AlGaN is determined as a function of Al composition and metal electronegativity utilizing the interface induced gap states (IFIGS) model and is corroborated with current-voltage (I-V) characterization on Ni-based Schottky diodes. The measured CNLs were used to determine the conduction and valence band offsets in AlGaN hetero-junctions according to the IFIGS and were found to be split approximately 2/3 and 1/3 of the bandgap, respectively, at interfaces with AlGaN having comparable Al and Ga concentrations. Nonlinearities in Φbn result in an increase (2/3) and decrease (2/3) of the conduction band split at AlN/AlGaN and GaN/AlGaN interfaces, respectively. Characterization of core level binding energies revealed a composition-independent surface work function. Consequently, electron affinity is found to be a linear function of the barrier height at the CNL and band offsets determined via IFIGS and Anderson's rule were found to be identical. The origin of the bandgap bowing arising in the conduction band is proposed.