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The local structure around In atoms used in the simulations of the In -edge XANES of (a) and (b) InN. All bond distances are given as a percentage difference from an average bond distance ).
(a) Normalized In -edge XANES spectra of indium oxynitride samples prepared under different gas timing with increased timing from bottom curve to top curve. Circles show recorded data points and the curves are the (noise removed) fit to the data. Inset: the plots from the main panel without offset at the energy range near the shoulders to highlight the changes in the shoulder height. (b) The calculated In -edge XANES spectra of wurtzite InN, bixbyite , wurtzite , and the simulated separated phase alloys with 38% and 49% fourfold In atoms (see text for detail).
The gas timing conditions, optical bandgaps, and [O]:[In] compositions of the samples.
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