Abstract
AbstractA new method for XANES calculations is offered. It allows to take into account simultaneously band structure effects as well as the core‐hole potential. The predicted K‐spectra of various ionic crystals agree well with the experimental ones. It is argued that the observed spectra correspond as a rule to the local partial densities of states of the nonperturbed crystal potential. Some of the new narrow peaks in the near‐edge region are due to electron transitions to resonance or bound‐electron states. These states are formed as a consequence of the hole potential, but exhibit essentially multicenter properties.
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