Superconductor to exciton condensate transition in a model copper-oxide material

Schouten, Anna O.; Sager-Smith, LeeAnn M.; Mazziotti, David A.

doi:10.1088/1367-2630/ad9cb4

Superconductor to exciton condensate transition in a model copper-oxide material

Journal Article · Thu Dec 26 23:00:00 EST 2024 · New Journal of Physics

DOI:https://doi.org/10.1088/1367-2630/ad9cb4· OSTI ID:2483909

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Abstract

Superconductivity and exciton condensation are fundamental phenomena in condensed matter physics, associated with the condensation of electron–electron and electron–hole pairs, respectively, into coherent quantum states. In this study, we present evidence of a superconductor to exciton condensate transition within the context of the three-band Hubbard model of copper-oxide-like materials. As the electron–electron repulsion increases, the superconducting phase is superseded by exciton condensation. In support of theoretical predictions—not yet realized experimentally—we observe the coexistence of the two condensates in the vicinity of the transition where the quantum states become a superposition of electron–electron and electron–hole condensates. Coexistence is rigorously computed from large eigenvalues and their eigenvectors in both the two-electron reduced density matrix (2-RDM) and the particle-hole RDM, which we obtain from a direct variational ground-state energy minimization with respect to the 2-RDM by semidefinite programming. We further discern that adjacent d orbitals and intervening p orbitals facilitate electron–electron pairing between copper orbitals, thereby supporting the superexchange mechanism for superconductivity. These observations suggest the feasibility of witnessing a superconductor to exciton condensate transition in copper-oxide analogs, bearing significant implications for identifying materials conducive to efficient transport processes.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019215

OSTI ID:: 2483909

Journal Information:: New Journal of Physics, Journal Name: New Journal of Physics Journal Issue: 12 Vol. 26; ISSN 1367-2630

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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