Theoretical x-ray absorption Debye-Waller factors
Theoretical x-ray absorption Debye-Waller factors
An approach is presented for theoretical calculations of the Debye-Waller factors in x-ray absorption and related spectra. These damping factors are represented in terms of the cumulant expansion up to third order. They account respectively for the net thermal expansion ${\ensuremath{\sigma}}^{(1)}(T)$, the mean-square relative displacements ${\ensuremath{\sigma}}^{2}(T)$, and the asymmetry of …