Particle-hole symmetry breaking in the pseudogap state of Pb0.55Bi1.5Sr1.6La0.4CuO6+δ: A quantum chemical perspective

Journal article, 2011

Two Bi2201 model systems are employed to demonstrate how, beside the Cu-O σ band, a second band of purely O 2pπ character can be made to cross the Fermi level due to its sensitivity to the local crystal field. This result is employed to explain the particle-hole symmetry breaking across the pseudogap recently reported by Shen and co-workers [see M. Hashimoto et al., Nature Phys. 6, 414 (2010).]. Support for a two-bands-on-a-checkerboard candidate mechanism for high-Tc superconductivity is claimed. Analysis based on band structures, partial density of states, and sum over states densities scanning-tunneling-microscopy-type images is provided.