Figure 9
Comparison of the experimental XANES spectrum at the Mn K-edge in LaMnO3 (filled circles) and the theoretical spectra calculated on a 5.5 Å cluster by using real HL ECP potential and different lmax values: lmax = 2 (black, solid line), lmax = 3 (green, dashed line) and lmax = 4 (blue, dotted line). This figure is in colour in the electronic version of this paper. |