Wurtzite ferroelectrics are attractive for microelectronics applications due to their chemical and structural compatibility with wurtzite semiconductors, such as and . However, the leakage current in epitaxial stacks reported to date should be reduced for reliable device operation. Here, we demonstrate low leakage current in epitaxial films on with well-saturated ferroelectric hysteresis loops that are orders of magnitude lower (i.e., 0.07 A ) than previously reported films (1–19 A ) having similar or better structural characteristics. We also show that, for these high-quality epitaxial films, structural quality (edge and screw dislocations), as measured by diffraction techniques, is not the dominant contributor to leakage. Instead, the small leakage in our films is limited by thermionic emission across the interfaces, which is distinct from the large leakage due to trap-mediated bulk transport in the previously reported films. To support this conclusion, we show that on lattice-matched buffers with improved structural characteristics but higher interface roughness exhibit increased leakage characteristics. This demonstration of low leakage current in heteroepitaxial films and understanding of the importance of interface barrier and surface roughness can guide further efforts toward improving the reliability of wurtzite ferroelectric devices. Published by the American Physical Society2025
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This content will become publicly available on May 28, 2026
Toward an Ab Initio Theory of High-Temperature Superconductors: A Study of Multilayer Cuprates
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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- Award ID(s):
- 2201516
- PAR ID:
- 10600000
- Publisher / Repository:
- Physical Review Journals
- Date Published:
- Journal Name:
- Physical Review X
- Volume:
- 15
- Issue:
- 2
- ISSN:
- 2160-3308
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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