Anharmonic extended X-ray absorption fine structure Debye-Waller factor of diatomic bromine

Abstract

In this work, the anharmonic extended X-ray absorption fine structure Debye-Waller factor of diatomic bromine has been analyzed in the temperature-dependent. The amplitude reduction and phase shift of the extended x-ray absorption fine structure oscillation are presented in terms of the Debye-Waller factor using the cumulant expansion approach. The temperature-dependent extended X-ray absorption fine structure cumulants are calculated based on the quantum anharmonic correlated Einstein model. The obtained numerical results are in good agreement with those obtained from the experimental extended X-ray absorption fine structure data and other theoretical approaches at various temperatures. These results show that the present theoretical model is useful for analyzing the experimental extended X-ray absorption fine structure signals of diatomic bromine and other molecules.