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Density-functional-theory calculations of electronic band structure of single-crystal and single-layer WS2

✍ Scribed by Albe, Karsten; Klein, Andreas


Book ID
111928407
Publisher
The American Physical Society
Year
2002
Tongue
English
Weight
47 KB
Volume
66
Category
Article
ISSN
1098-0121

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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 3Ψ‰ (d 7 ) cation of PdTeI is located at a distorted octahedral site, so that PdTeI has four half-f