Figure 5
Comparison of the experimental Mn K-edge XANES spectrum of LaMnO3 (filled circles) and CaMnO3 (open circles) and the result of the computations, plotted on an absolute energy scale, performed for a 7 Å cluster of LaMnO3 in which the distorted MnO6 octahedron has been substituted by a regular (red, dotted line) and partly distorted (blue, dot-dashed line) one, and by the same regular one as found in CaMnO3 (green, dashed line) (see text for details). This figure is in colour in the electronic version of this paper. |