作者: Mark S. Hybertsen , Michael Schlüter
DOI: 10.1007/978-94-011-3190-2_16
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摘要: The development and analysis of a sequence specific models for the electronic structure copper oxide materials is briefly reviewed. Starting with first principles Density Functional description properties, two successive renormalization procedures yield simplified their parameters. First an extended three-band Hubbard model obtained then, energies near Fermi level, final are one-band, either or ‘t-t′-J’ type. At each stage process, observables calculated found in agreement experiments. In particular, detailed, quantitative theory recent soft X-ray absorption measurements strongly supports doped charge-transfer insulator picture low energy states.