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

Authors: Seo D.-K.¹; Whangbo M.-H.¹; Neininger K.²; Thiele G.²

Source: Journal of Solid State Chemistry, Volume 137, Number 2, May 1998 , pp. 206-210(5)

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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-filled z² 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. Copyright 1998 Academic Press.

Language: English

Document Type: Research article

Affiliations: 1: Department of Chemistry, North Carolina State University, Raleigh, North Carolina, 27695-8204 2: Institut für Anorganische Chemie, Albertstrasse 21, Freiburg, D-79104, Germany

Publication date: 1998-05-01