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

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

doi:10.1006/jssc.1997.7669

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

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

Arizona State University

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	206-210
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	137
Issue number	2
DOIs	https://doi.org/10.1006/jssc.1997.7669
Publication status	Published - May 1998

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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

Seo, D. K., Whangbo, M. H., Neininger, K., & Thiele, G. (1998). Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI. Journal of Solid State Chemistry, 137(2), 206-210. https://doi.org/10.1006/jssc.1997.7669

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 journal › Article

Seo, DK, Whangbo, MH, Neininger, K & Thiele, G 1998, 'Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI', Journal of Solid State Chemistry, vol. 137, no. 2, pp. 206-210. https://doi.org/10.1006/jssc.1997.7669

Seo DK, Whangbo MH, Neininger K, Thiele G. Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI. Journal of Solid State Chemistry. 1998 May;137(2):206-210. https://doi.org/10.1006/jssc.1997.7669

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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10.1006/jssc.1997.7669