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X-ray absorption spectra of In(x)Ga(1-x)N alloys with insight from atom-specific simulations

: Amidani, L.; Filippone, F.; Bonapasta, A.A.; Ciatto, G.; Lebedev, V.; Knübel, A.; Boscherini, F.


Physical Review. B 86 (2012), Nr.15, Art.155211, 6 S.
ISSN: 0163-1829
ISSN: 1098-0121
ISSN: 0556-2805
ISSN: 2469-9950
Fraunhofer IAF ()

We report N-K-edge x-ray absorption near-edge spectra of a set of In(x)Ga(1-x)N alloy epilayers with 0.36 < x < 0.87, including linear dichroism effects. Careful experimental and data treatment procedures lead to consistent variations of spectral features with In concentration and sample orientation with respect to the direction of linear polarization of the x-ray beam. Insight into the origin of spectral features is provided by a combination of ab initio simulations of the equilibrium structure and atom-by-atom spectral simulations. The relation between the spectral lineshape and the variations in the composition of the first coordination shell and the corresponding local structural distortions is discussed.