Valence Band Studies of p- and n-Type Ba8Ga16Ge30 Using High-Resolution Photoelectron Spectroscopy

The electronic states of p- and n-type Ba8Ga16Ge30 (BGG) are studied by high-resolution x-ray photoelectron spectroscopy. In BGG, three bands are resolved in the valence band region. Theoretical calculations show that the three band structures in the valence band are mainly constructed by the Ge/Ga 4s and 4p wavefunctions with little contribution from Ba 5s, 5p, and 5d. The valence band around the Fermi level region of n-type BGG is sensitive to temperature, while that of p-BGG is stable when the temperature changes. The data indicate that the endohedral Ba in p- and n-type BGG rattle with different modes due to the different hybridization with the orbitals of the framework polyhedra.