Hidden, one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba${}_2$CuO${}_{3+y}$ superconductors

Abstract

All previous cuprate superconductors display a set of common features: (i) vicinity to a Cu 3$d^9$ configuration; (ii) separated CuO${}_2$ planes; (iii) superconductivity for doping $\delta \sim$ 0.1$-$0.3. Recently [PNAS {\bf 24}, 12156 (2019)] challenged this picture by discovering "highly overdoped" superconducting Ba${}_2$CuO${}_{3+y}$. Using density-functional theory + dynamical mean-field theory, we reveal a bilayer structure of Ba${}_2$CuO${}_{3.2}$ 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 $d_{b^2-c^2}$ band, which is prone to strong antiferromagnetic fluctuations, possibly at the origin of superconductivity in Ba${}_2$CuO${}_{3+y}$.

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