Electronic structure and local distortions in epitaxial ScGaN films

Abstract

High energy-resolution fluorescence-detected X-ray absorption spectroscopy and density functional theory calculations were used to investigate the local bonding and electronic structure of Sc in epitaxial wurtzite-structure Sc$_{x}$Ga$_{1-x}$N films with x $\le$ 0.059. Sc atoms are found to substitute for Ga atoms, accompanied by a local distortion involving an increase in the internal lattice parameter u around the Sc atoms. The local bonding and electronic structure at Sc are not affected strongly by the strain state or the defect microstructure of the films. These data are consistent with theoretical predictions regarding the electronic structure of dilute Sc$_{x}$Ga$_{1-x}$N alloys.