Silicon and Germanium Network Polyhedra viewed from Soft X-ray Spectroscopy
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<jats:title>Abstract</jats:title><jats:p>The electronic states of Ba<jats:sub>8</jats:sub>Ga<jats:sub>16</jats:sub>Ge<jats:sub>30</jats:sub> and Sr<jats:sub>8</jats:sub>Ga<jats:sub>16</jats:sub>Ge<jats:sub>30</jats:sub> are studied by soft x-ray photoelectron spectroscopy (XPS) at a high-energy facility. In Ba<jats:sub>8</jats:sub>Ga<jats:sub>16</jats:sub>Ge<jats:sub>30</jats:sub>, three bands are resolved in the valence band region. Resonance experiments together with theoretical calculations show that the three band structures in the valence band are mainly constructed by the Ge/Ga 4s and 4p wave functions with little contributions of Ba 5s, 5p and 5d. The valence band of Sr<jats:sub>8</jats:sub>Ga<jats:sub>16</jats:sub>Ge<jats:sub>30</jats:sub> shows a similar feature to that of Ba<jats:sub>8</jats:sub>Ga<jats:sub>16</jats:sub>Ge<jats:sub>30</jats:sub>. It is clearly shown that the atomic orbitals of Ba and Sr make little hybridization with the orbitals made by the framework polyhedra. This provides the understanding of the thermoelectricity in clathrates, and assists the design in high performance thermoelectric materials in this family.</jats:p>
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- MRS Proceedings
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MRS Proceedings 1044 2007-01-01
Springer Science and Business Media LLC