Figure 1
(a) Three Ti sites contribute a total of 12 oxygen single-scattering paths, shown in blue, with lengths and degeneracies shown in Table 1. With a binning width of 0.1 Å, these are reduced to four fuzzily degenerate paths, shown in red and offset downward for clarity, with lengths and degeneracies shown in Table 2. As plotted here, each path is evaluated with S02 set to 1 and each of E0, and set to 0. (b) Sum of the 12 strictly degenerate paths in blue, compared with the sum of the four fuzzily degenerate paths. Note that interference between paths of different lengths results in substantial attenuation of the signal above 7 Å−1. (c) Fourier transforms of the summed spectra. |