Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI

D. K. Seo, M. H. Whangbo, K. Neininger, G. Thiele

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6 Citations (Scopus)


The crystal structure of PdTeI was determined by single-crystal X-ray diffraction measurements, and its electronic band structure was calculated using the extended-Hückel tight-binding method. Each Pd3+(d7) cation of PdTeI is located at a distorted octahedral site, so that PdTeI has four half-filledz2bands dispersive mainly along thecdirection. Thus, optical and transport properties of PdTeI are predicted to be highly one-dimensional, although the crystal structure of PdTeI is three-dimensional. Implications of the crystal and electronic structures on the physical properties of PdTeI are discussed.

Original languageEnglish
Pages (from-to)206-210
Number of pages5
JournalJournal of Solid State Chemistry
Issue number2
Publication statusPublished - May 1998

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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