Preparation and electronic states of Na16Ba8Si 136 clathrate

Takeshi Rachi, Katsumi Tanigaki, Ryotaro Kumashiro, Johannes Winter, Hans Kuzmany

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)

Abstract

A Si136 compound with an endohedral accommodation of Ba is newly made and its electronic states are compared to those of pure silicon-network superconducting Ba8Si46. The resulting Na 16Ba8Si136 has indeed a small density of states at the Fermi level and does not superconduct down to 2 K. Rietveld analyses show that Ba is accommodated in a Si28 cage with 0.98 occupancy and Na in Si20 with 0.61. The disappearance of superconductivity could be explained in terms of the little hybridization of Ba 5d/6s with Si28 polyhedral cluster orbitals, leading to a very low density of states at the Fermi level.

Original languageEnglish
Pages (from-to)48-51
Number of pages4
JournalChemical Physics Letters
Volume409
Issue number1-3
DOIs
Publication statusPublished - 2005 Jun 20

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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