Hidden, one-dimensional, strongly nested, and almost half-filled Fermi surface in BaCuO superconductors
arXiv:2107.11897 · doi:10.1103/PhysRevB.105.085110
Abstract
All previous cuprate superconductors display a set of common features: (i) vicinity to a Cu 3 configuration; (ii) separated CuO planes; (iii) superconductivity for doping 0.10.3. Recently [PNAS {\bf 24}, 12156 (2019)] challenged this picture by discovering "highly overdoped" superconducting BaCuO. Using density-functional theory + dynamical mean-field theory, we reveal a bilayer structure of BaCuO of alternating quasi 2D and quasi 1D character. Correlations tune an inter-layer self-doping leading to an almost half-filled, strongly nested quasi 1D band, which is prone to strong antiferromagnetic fluctuations, possibly at the origin of superconductivity in BaCuO.
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- Correlated electronic structure of high-temperature superconductor BaCuO