Figure 1
Theoretical B K-edge XANES of boron-containing compounds obtained using self-consistent potentials (solid lines) and using non-self-consistent potentials (broken lines), compared with experiment (dotted lines). Results for compounds with BO3 units are in the left-hand panels, results for compounds with BO4 units are in the right-hand panels. A core hole is always included (within the relaxed and screened model). The origin of the energy scale is arbitrary. |