Silicon and germanium network polyhedra viewed from soft X-ray spectroscopy

Jun Tang, Takeshi Rachi, Marcos A. Avila, Toshiro Takabatake, Fag Zhum Guo, Keisuke Kobayashi, Koji Akai, Katsumi Tanigaki

研究成果: Conference article査読


The electronic states of Ba8Ga16Ge30 and Sr8Ga16Ge30 are studied by soft x-ray photoelectron spectroscopy (XPS) at a high-energy facility. In Ba 8Ga16Ge30, 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 Sr8Ga16Ge 30 shows a similar feature to that of Ba8Ga 16Ge30. 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.

ジャーナルMaterials Research Society Symposium Proceedings
出版ステータスPublished - 2008
イベントThermoelectric Power Generation - Boston, MA, United States
継続期間: 2007 11 262007 11 29

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学


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