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High-T-c SC and CMR made chemically intuitive

By Itai Panas, Rafael Gatt and J.R.T Johnson


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\u27 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

Topics: Theoretical Chemistry, Condensed Matter Physics
Year: 1998
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Provided by: Chalmers Research
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