2006/11/28 by Liviu Hozoi, L. Hozoi, Satoshi Nishimoto +3 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Antiferromagnetism #Condensed matter physics #Cuprate #Electronic structure #Ferromagnetism #Hamiltonian (control theory) #Magnetic and transport properties of perovskites and related materials #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Quasiparticle #Renormalization #Renormalization group #Spins #Superconductivity #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.75.174505
published as Phys. Rev. B 75, 174505 (2007)
arxiv created 2006/11/28 · openalex publication_date 2007/05/08 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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 wave-function-based quantum chemical calculations on large embedded clusters. We find that a 2p hole induces ferromagnetic correlations among the nearest-neighbor Cu\phantom\rule0.2em0ex3d 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.