TY - JOUR
T1 - Single-Crystal X-Ray Diffraction and Electronic Band Structure Studies of PdTeI
AU - Seo, D. K.
AU - Whangbo, M. H.
AU - Neininger, K.
AU - Thiele, G.
N1 - Funding Information:
This work was supported by the U.S. Department of Energy, Office of Basic Sciences, Division of Materials Sciences, under Grant DE-FG05-86ER45259 and also by the Alexander von Humboldt Foundation.
PY - 1998/5
Y1 - 1998/5
N2 - 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.
AB - 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.
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U2 - 10.1006/jssc.1997.7669
DO - 10.1006/jssc.1997.7669
M3 - Article
AN - SCOPUS:0009724663
VL - 137
SP - 206
EP - 210
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 2
ER -