Abstract
AbstractSulphur X‐ray fluorescent K bands, X‐ray absorption near the edge structure (K‐XANES), and emission L2,3 bands are obtained in semiconducting A1BiS2 (A1 = Li, Na, K, Rb) sulphides. The electronic structure of the [BiS6]9− cluster, which is a fragment of the investigated compounds, is calculated by the self‐consistent field Xα‐scattered wave (Xα‐SW) method. On the basis of a joint analysis of X‐ray emission spectra the fine structure, the XANES data and the results of Xα‐SW calculation the energy band structure and the character of chemical bond in A1BiS2 type compounds is investigated. The origin of the anomalous increase of the energy gap in these compounds is established when the atomic number of alkaline metal increases.
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