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

Dong Kyun Seo, M. H. Whangbo, K. Neininger, G. Thiele

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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
Volume137
Issue number2
DOIs
Publication statusPublished - May 1998

Fingerprint

Band structure
Crystal structure
Single crystals
X ray diffraction
crystal structure
single crystals
electronics
diffraction
x rays
Transport properties
Electronic structure
Cations
Optical properties
Physical properties
physical properties
transport properties
Positive ions
electronic structure
optical properties
cations

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI. / Seo, Dong Kyun; Whangbo, M. H.; Neininger, K.; Thiele, G.

In: Journal of Solid State Chemistry, Vol. 137, No. 2, 05.1998, p. 206-210.

Research output: Contribution to journalArticle

Seo, Dong Kyun ; Whangbo, M. H. ; Neininger, K. ; Thiele, G. / Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI. In: Journal of Solid State Chemistry. 1998 ; Vol. 137, No. 2. pp. 206-210.
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