Electronic structure systematics of 3d transition metal oxides
✍ Scribed by R. Zimmermann; P. Steiner; R. Claessen; F. Reinert; S. Hüfner
- Book ID
- 108437266
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 478 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0368-2048
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📜 SIMILAR VOLUMES
Photoemission measurements were performed on in-situ prepared amorphous TMxSnl00\_ ~ films (TM = Fe, Co, Ni, Pd). Valence band spectroscopy and core level analysis are in contradiction to the charge transfer model, often used to explain the magnetism and binding of transition metal/metalloid alloys.
Electronic states of oxides including 3d, 4d and 5d transition metals with metal ion d t configuration were calculated using the spin-polarized DV-Xa method. Artificial model clusters adopted were MO6 octahedra, MO5 pyramids and square planar MO4 (M=transition metal). For the undistorted octahedron,