High-T-c SC and CMR made chemically intuitive

Artikel i vetenskaplig tidskrift, 1998

Detailed electronic properties of cluster models of superconducting cuprates have been determined by ab initio quantum chemistry. All near-degeneracy effects are included explicitly in the wave function description. A semi-quantitative understanding of a low-dispersive ‘oxygen metal' band, attenuated by lattice vibrations, and coupled to an antiferromagnetic background in the case of the high-Tc SC materials, is generalized to also include colossal magneto-resistance in the manganites.