Experimental charge densities of semiconducting cage structures containing alkaline earth guest atoms

Anders Bentien, Anders E.C. Palmqvist, J. Daniel Bryan, Susan Latturner, Galen D. Stucky, Lars Furenlid, Bo B. Iversen

Research output: Contribution to journalArticle

52 Scopus citations

Abstract

That guest atoms donate electrons to framework atoms is a generally accepted concept. Nevertheless, evidence for the presence of neutral guest atoms in thermoelectric clathrate structures is presented in the form of experimental X-ray charge density analysis and X-ray absorption near-edge structure (XANES) data. The picture shows the deformation density (DD) determined by the maximum entropy method for Ba8Ga16Ge30; the DD shows that both the Ba guest atoms are disordered.

Original languageEnglish (US)
Pages (from-to)3613-3616
Number of pages4
JournalAngewandte Chemie - International Edition
Volume39
Issue number20
DOIs
StatePublished - Oct 16 2000

Keywords

  • Charge density
  • Clathrates
  • Host-guest chemistry
  • Thermoelectricity
  • X-ray absorption spectroscopy

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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