Electronic structure and local distortions in epitaxial ScGaN films.
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 ScxGa1-xN films with x ≤ 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.
Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Rd., Cambridge, CB3 0FS, UK.
S M
SM
Knoll
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M
Rovezzi
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S
Zhang
T B
TB
Joyce
M A
MA
Moram
D000497:Alloys / Q000737:chemistry; D003198:Computer Simulation; D003460:Crystallization; D004553:Electric Conductivity; D004579:Electron Transport; D005682:Gadolinium / Q000737:chemistry*; D008422:Materials Testing; D008567:Membranes, Artificial; D008956:Models, Chemical; D009584:Nitrogen / Q000737:chemistry*; D012538:Scandium / Q000737:chemistry*
D000497:Alloys; D008567:Membranes, Artificial; D005682:Gadolinium; D009584:Nitrogen; D012538:Scandium