Implications of Hund`s second rule for the insulating behavior of FeO and CoO
A formal expression for Hund`s second rule correlations is applied to energy band calculations for FeO, CoO, and NiO. In all 3 cases, insulating gaps are found, in contrast to standard band calculations, where an insulating gap is only found for NiO. The calculated orbital moments, though, are too large, due to the correction being based on the atomic limit. 2 tabs, 12 refs.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10132900
- Report Number(s):
- ANL/MSD/PP-71896; ON: DE94008126
- Resource Relation:
- Other Information: PBD: Nov 1990
- Country of Publication:
- United States
- Language:
- English
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