Significant progress toward a theory of high-temperature superconductivity in cuprates has been achieved via the study of effective one- and three-band Hubbard models. Nevertheless, material-specific predictions, while essential for constructing a comprehensive theory, remain challenging due to the complex relationship between real materials and the parameters of the effective models. By combining cluster dynamical mean-field theory and density functional theory in a charge-self-consistent manner, here we show that the goal of material-specific predictions for high-temperature superconductors from first principles is within reach. To demonstrate the capabilities of our approach, we take on the challenge of explaining the remarkable physics of multilayer cuprates by focusing on the two representative and families. We shed light on the microscopic origin of many salient features of multilayer cuprates, in particular, the dependence of their superconducting properties. The growth of from the single-layer to the trilayer compounds is here explained by the reduction of the charge transfer gap and, consequently, the growth of superexchange as increases. The origin of both is traced to the appearance of low-energy conduction bands reminiscent of standing wave modes confined within the stack of planes. We interpret the ultimate drop of for as a consequence of the inhomogeneous doping between the planes, which prevents the emergence of superconductivity in the inner planes due to their insufficient effective hole doping, as we also highlight the existence of a minimal doping (4%) required for superconductivity to appear in one of the planes. We explain material-specific properties such as the larger propensity of to superconduct compared with . We also find the coexistence of arcs and pockets observed with photoemission, the charge redistribution between copper and oxygen, and the link to the pseudogap. Our work establishes a framework for comprehensive studies of high-temperature superconducting cuprates, enables detailed comparisons with experiment, and, through its settings, unlocks opportunities for theoretical material design of high-temperature superconductors. Published by the American Physical Society2025
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This content will become publicly available on February 1, 2026
Sketched Nanoscale KTaO3-Based Superconducting Quantum Interference Device
The discovery of two-dimensional superconductivity in (111) and (110) interfaces has raised significant interest in this system. In this paper, we report the first successful fabrication of a direct current superconducting quantum interference device (dc-SQUID) in the KTO system. The key device elements, superconducting weak links, are created by conductive atomic force microscope lithography, which can reversibly control the conductivity at the LAO/KTO (110) interface with nanoscale resolution. The periodic modulation of the SQUID critical current with magnetic field corresponds well with our theoretical modeling, which reveals a large kinetic inductance of the superconducting two-dimensional electron gas in KTO. The kinetic inductance of the SQUID is tunable by electrical gating from the back, due to the large dielectric constant of KTO. The demonstration of weak links and SQUIDs in KTO broadens the scope for exploring the underlying physics of KTO superconductivity, including the role of spin-orbit coupling, pairing symmetry, and inhomogeneity. It also promotes KTO as a versatile platform for a growing family of quantum devices, which could be applicable in the realm of quantum computing and information.
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- Award ID(s):
- 2225888
- PAR ID:
- 10651812
- Publisher / Repository:
- Physical Review
- Date Published:
- Journal Name:
- Physical Review X
- Volume:
- 15
- Issue:
- 1
- ISSN:
- 2160-3308
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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