Electronic structure of RbCl and Rb2ZnCl4in the solid and the liquid state: Analysis of the local fine structure of x-ray absorption

Abstract

Experimental absorption spectra were obtained near the absorption K edge of Rb in RbCl and Rb2ZnCl4 in the solid state and in a melt. Detailed analysis of the electronic structure of RbCl was conducted by means of the total multiple scattering method, and good agreement with the experimental spectrum was obtained. The fine structure of the unoccupied electronic states was determined in the conduction band of the compound studied. The unoccupied p states of rubidium were shown to be hybridized, for the most part, with the Cl p states in the conduction band. It was proved that the RbCl melts can be described in good approximation on the basis of the cluster model with the Debye-Waller parameter σ2=0.3 A−2.