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Electronic structure of LiNiO2, LiFeO2 and LiCrO2: X-ray photoelectron and X-ray emission study

✍ Scribed by V.R. Galakhov; E.Z. Kurmaev; St. Uhlenbrock; M. Neumann; D.G. Kellerman; V.S. Gorshkov

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
527 KB
Volume
95
Category
Article
ISSN
0038-1098

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Electronic structures of Moo2 (4d2) and molybdatc (4d") are calculated by the discrete-variational Xa method employing [hlo20101'F and [hl004]~-clusters. The calculations indicate that the hlo-0 bond is more covalent in the molybdatc than in hloO2. Lcvcl swucturcs for the valence band region arc in