Calculated effective Hamiltonian for La2CuO4 and solution in the impurity Anderson approximation

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Calculated effective Hamiltonian for La2CuO4 and solution in the impurity Anderson approximation

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Title: Calculated effective Hamiltonian for La2CuO4 and solution in the impurity Anderson approximation
Author: McMahan, A. K.; Martin, Richard M.; Satpathy, Sashi Sekhar, 1956-
Keywords: lattice effects
Date: 1988-10-01
Publisher: American Physical Society
Citation: Phys. Rev. B 38, 6650-6666 (1988)
Abstract: We report local-density-functional calculations of hybridization matrix elements and effective electron-electron interactions in La2CuO4 defining a general effective Hamiltonian that we propose as an appropriate starting point for many-body calculations in this material. The parameter values lend support to an Anderson lattice model. We find the impurity approximation to this model yields a magnetic ground state of x2-y2 symmetry, a 1-2-eV insulating gap bounded by ionization and affinity levels of the same symmetry, and a calculated d spectral weight in qualitative agreement with photoemission experiments. We discuss anticipated modification of these results by lattice effects.
URI: http://hdl.handle.net/10355/9558
ISSN: 1098-0121

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