Quasiparticle Description of Angle-Resolved Photoemission Spectroscopy for SrCuO2: Article No. 100041

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Abstract

SrCuO2 has long been considered a near-archetypal realization of a quasi-one-dimensional (1D) system of interacting electrons with short-range interactions. Within this framework, experimental observations - interpreted through the lens of the 1D Hubbard model - suggest that electron and hole excitations decay into two types of (unphysical) collective bosonic modes: "spinons", which carry the spin degree of freedom, and "holons", which carry the charge degree of freedom. This model, known as spin-charge separation, is most directly evidenced by angle-resolved photoemission spectroscopy (ARPES), where a photo-induced hole decays into a continuum of these excitations. Here we present an alternative perspective grounded in first-principles, self-consistent, and parameter-free many-body perturbation theory. In this revised quasiparticle framework, ARPES can be understood as a one-body effect arising from mild disorder in a long-range antiferromagnetic ground state. the emergence of the so-called spinon branch arises naturally from spin disorder, the anomalous linewidths are accurately captured, and we provide a compelling explanation for the spectral weight observed at the non-magnetic zone boundary. This reinterpretation provides a unified explanation for key experimental signatures previously attributed to spin-charge separation, including features observed in optical conductivity. Additionally, we show that SrCuO2 exhibits a nontrivial interchain coupling that significantly influences both its one-particle and two-particle spectral functions. By comparing the spectral features of SrCuO2 with those of La2CuO4, we argue that SrCuO2 shares notable similarities with the two-dimensional cuprates-both being rooted in a common CuO4 plaquette-based molecular orbital framework.
Original languageAmerican English
Number of pages9
JournalComputational Materials Today
Volume8
DOIs
StatePublished - 2025

NLR Publication Number

  • NREL/JA-5F00-97280

Keywords

  • 1D cuprates
  • angle resolved photoemission
  • optical properties
  • spinons and holons

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