Saturation of superconductivity in cuprates overdoped with high-pressure oxygen: Phase diagram with YBa <sub>2</sub> Cu <sub>3</sub> O <sub>7+δ</sub> , δ → 1

S Steven D. Conradson (Department of Chemistry, Washington State University) L Luiz M. Dezaneti (Federal Institute of Education, Science and Technology of Goias, Department of Academic Areas) G Gianguido Baldinozzi (Centralesupélec, Centre National de la Recherche Scientifique, Structures Property and Modeling of Solids Laboratory) L Linda Sederholm (Department of Chemistry and Materials Science, Aalto University) M Maarit Karppinen (Department of Chemistry and Materials Science, Aalto University) L Luis Casillas-Trujillo (Department of Physics, Chemistry and Biology, National Supercomputer Centre, Linköping University) M Matthew Latimer (Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory) O Oliver Mueller (Stanford Synchrotron Radiation Lightsource) E Edmondo Gilioli (Institute of Materials for Electronics and Magnetism, Consiglio Nazionale delle Ricerche) A Alan R. Bishop (Center for Nonlinear Studies, Los Alamos National Laboratory) X Xiaofeng Guo (Department of Chemistry, Washington State University) J Juejing Liu (Department of Chemistry, Washington State University) J Juan Lezama Pacheco (Stanford Doerr School of Sustainability, Stanford University)

Abstract

High temperature superconductivity (HTSC) typically occurs as a “dome” over a narrow range of doping in its phase diagram. The reaction of YBa 2 Cu 3 O 7 with Ag 2 O 2 at ≥800 °C and 6 GPa inserts oxygen atoms between the Cu1 sites to form tetragonal YBa 2 Cu 3 O 8 without significant changes to its overall structure or interatomic distances. The superconductivity in YBa 2 Cu 3 O 8 is essentially unaffected, with the reduction of the transition temperature by ≤2 K and its superconducting fraction by ≤ 15% between the O7 and O8 endpoints of the oxygen stoichiometry and associated carrier density. The dome therefore only pertains to compounds doped by cation substitution or presumably interstitial oxygen. Band structure calculations of the fully ordered endpoints show substantial changes in the density of states at the Fermi level because of its shift to lower energy with increasing oxygen stoichiometry. The coincidence of optimum and saturation HTSC at a carrier:CuO 2 ratio of ≈1/6 implies a direct coupling of HTSC with the lattice such that this value is intrinsic to the superconducting phase. The SC in YBa 2 Cu 3 O 8 is therefore not only pinned at its optimum values but also separated from the other electronic states so that the additional holes have no measurable effect on the condensate. In addition, the 95 K transition temperature of Sr 2 CuO 3.4 that possesses CuO 1.5 ladders instead of CuO 2 planes reveals a second distinct behavior of cuprates overdoped with high-pressure oxygen, demonstrating significant gaps in our understanding of HTSC.

Article Details

Volume / Issue Vol. 123, Issue 10
Published March 10, 2026
ISSN 0027-8424
Publisher National Academy of Sciences

Authors (13)

S

Steven D. Conradson

Department of Chemistry, Washington State University

L

Luiz M. Dezaneti

Federal Institute of Education, Science and Technology of Goias, Department of Academic Areas

G

Gianguido Baldinozzi

Centralesupélec, Centre National de la Recherche Scientifique, Structures Property and Modeling of Solids Laboratory

L

Linda Sederholm

Department of Chemistry and Materials Science, Aalto University

M

Maarit Karppinen

Department of Chemistry and Materials Science, Aalto University

L

Luis Casillas-Trujillo

Department of Physics, Chemistry and Biology, National Supercomputer Centre, Linköping University

M

Matthew Latimer

Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory

O

Oliver Mueller

Stanford Synchrotron Radiation Lightsource

E

Edmondo Gilioli

Institute of Materials for Electronics and Magnetism, Consiglio Nazionale delle Ricerche

A

Alan R. Bishop

Center for Nonlinear Studies, Los Alamos National Laboratory

X

Xiaofeng Guo

Department of Chemistry, Washington State University

J

Juejing Liu

Department of Chemistry, Washington State University

J

Juan Lezama Pacheco

Stanford Doerr School of Sustainability, Stanford University