Electron structure and spectral characteristics of Cd-substituted Ge-based clathrates

Theoretical data on the electron energy spectrum of the substituted clathrates in the Ba-Cd-Ge system with different content of Cd atoms are reported. The calculation is carried out by the method of linearized augmented plane wave. The energy band structures, the total and partial densities of electron states, and the X-ray emission spectra are obtained from the calculations.