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

✍ Scribed by D.-K. Seo; M.-H. Whangbo; K. Neininger; G. Thiele

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 376 KB
• Volume: 137
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1997.7669

✦ Synopsis

The crystal structure of PdTeI was determined by singlecrystal X-ray diffraction measurements, and its electronic band structure was calculated using the extended-Hu] ckel tight-binding method. Each Pd 3؉ (d 7 ) cation of PdTeI is located at a distorted octahedral site, so that PdTeI has four half-filled z 2 bands dispersive mainly along the c direction. 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.