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EXAFS function and the magnitude of Fourier transform of for samples A and B: (a) the oscillation EXAFS (fine lines) functions of samples A and B compared with the result of fitting for sample A (coarse line); (b) Fourier transform of the experimental Mn -edge EXAFS functions (fine lines) for samples A and B compared with the result of fitting corresponding to sample A (coarse line).
Magnitude of Fourier transform of EXAFS and simulation results of sample B: the bottom coarse line is the FT of ; the top fine line is the simulation result containing substitutional and interstitial Mn atoms; the bottom fine line is the one containing substitutional Mn atoms and Mn clusters; the top coarse line is the one containing substitutional Mn, interstitial Mn and Mn clusters.
Measured rocking curves for samples A and B.
Local structures around Mn atom for sample A obtained by curve fitting. is the coordination number, is the distance between centered Mn atoms and coordination atoms, is the mean square displacement of coordinating atoms at room temperature, is the difference between the zero kinetic energy value of the sample and that of the theoretical model, and is the amplitude reduction factor. Underlined values were kept constant during the fitting.
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