Hidden one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba2CuO3+y superconductors

2021/07/31 by Paul Worm, Motoharu Kitatani, Jan M. Tomczak +2 · 1 citation
Chemistry · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Antiferromagnetism #Bilayer #Character (mathematics) #Chemistry #Condensed matter physics #Cuprate #Density functional theory #Doping #Fermi liquid theory #Fermi surface #Geometry #Materials science #Mathematics #Membrane #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Superconductivity #Superconductivity in MgB2 and Alloys #cond-mat.mtrl-sci #cond-mat.str-el #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevb.105.085110

openalex created_date 2021/08/02 · arxiv created 2021/08/17 · openalex publication_date 2022/02/07 · arxiv updated 2022/02/16 · openalex updated_date 2026/08/06

Abstract

All previous cuprate superconductors display a set of common features: (i) vicinity to a Cu 3d⁹ configuration; (ii) separated CuO₂ planes; and (iii) superconductivity for doping \ensuremathδ\ensuremath∼0.1--0.3. Recently, Li et al. [Proc. Natl. Acad. Sci. USA 116, 12156 (2019)] challenged this picture by discovering ``highly overdoped'' superconducting Ba₂CuO_3+y. Using density-functional theory plus dynamical mean-field theory, we reveal a bilayer structure of Ba₂CuO_3.2 of alternating quasi-two-dimensional (2D) and quasi-one-dimensional (1D) character. Correlations tune an interlayer self-doping leading to an almost half-filled, strongly nested, quasi-1D d_b²\ensuremath-c² band, which is prone to strong antiferromagnetic fluctuations, possibly at the origin of superconductivity in Ba₂CuO_3+y.

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