Magnetic broken symmetry solutions of the three-band extended Hubbard model
โ Scribed by Shoji Yamamoto; Masa-aki Ozaki
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 441 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0038-1098
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๐ SIMILAR VOLUMES
We investigate the three-band extended Hubbard model for the CuO 2 planes of high-temperature superconductors. We consider the limit of U = I on Cu atoms and we include the nearest-neighbor Coulomb repulsion between holes on 2p x,y orbitals of oxygen and holes on 3d x 2 รy 2 or 3d 3z 2 รr 2 orbitals
## Abstract Unrestricted density functional theory calculations have been conducted on three diiron(III) synthetic model compounds containing antiferromagnetically coupled highโspin (HS) irons for which crystallographic structures and Raman spectral data are available. Three density functionals hav