Table 2. EXAFS Fitting Parameters and Their Physical Interpretation with Typical Ranges and Errors (Spectra Measured at Room Temperature)a.
free parameters | physical meaning | typical range | statistical error (maximum acceptable range) |
---|---|---|---|
Amplitude S02 | Data distortion, proper model (correlates with coordination number) | 0.7–1.05 | 10% |
Change in interatomic distance, del R | Deviation from the distance in the initial model | N/A | 1% of R |
Energy shift E0 | Edge energy of the ejected electron | ±10 eV | 0.1 ± 5% |
Debye–Waller factor, σ2 | Thermal or static disorder in the bond | 0.002–0.03 Å2, always positive | 5% |
The statistical errors shown in the table are mainly for 1st shell fitting. For details, please see, e.g., handbook by Calvin.104.