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Renormalization of the quasiparticle hopping integrals by spin interactions in layered copper oxides

L. Hozoi·S. Nishimoto·C. de Graaf
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Abstract

Holes doped within the square CuO2 network specific to the cuprate superconducting materials have oxygen 2p character. We investigate the basic properties of such oxygen holes by wavefunction-based quantum chemical calculations on large embedded clusters. We find that a 2p hole induces ferromagnetic correlations among the nearest-neighbor Cu 3d spins. When moving through the antiferromagnetic background the hole must bring along this spin polarization cloud at nearby Cu sites, which gives rise to a substantial reduction of the effective hopping parameters. Such interactions can explain the relatively low values inferred for the effective hoppings by fitting the angle-resolved photoemission data. The effect of the background antiferromagnetic couplings of renormalizing the effective nearest-neighbor hopping is also confirmed by density-matrix renormalization-group model Hamiltonian calculations for chains and ladders of CuO4 plaquettes.

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L. Hozoi, S. Nishimoto, C. de Graaf. 2006-11-28. Renormalization of the quasiparticle hopping integrals by spin interactions in layered copper oxides. https://doi.org/10.1103/physrevb.75.174505

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