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Scientific Reports

O-terminated interface for thickness-insensitive transport properties of aluminum oxide Josephson junctions

Zheng Shan, Xuelian Gou, Huihui Sun, Shuya Wang, Jiandong Shang, Lin Han

Published Jul 12, 2022• 9 citations
Publisher

Abstract

Abstract Alumina Josephson junction has demonstrated a tremendous potential to realize superconducting qubits. Further progress towards scalable superconducting qubits urgently needs to be guided by novel analysis mechanisms or methods to reduce the thickness sensitivity of the junction critical current to the tunnel barrier. Here, it is first revealed that the termination mode of AlOx interface plays a crucial role in the uniformity of critical current, and we demonstrate that the O-terminated interface has the lowest resistance sensitivity to thickness. More impressively, we developed atomically structured three-dimensional models and calculated their transport properties using a combination of quantum ballistic transport theory with first-principles DFT and NEGF to examine the effects of the Al2O3 termination mode and thickness variations. This work clarifies that O-terminated interface can effectively improve the resistance uniformity of Josephson junction, offering useful guidance for increasing the yield of fixed-frequency multi-qubit quantum chips which require tight control on qubit frequency.

DOI
10.1038/s41598-022-16126-1

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Applied Physics Letters•Jun 8, 2026•0 citations
Abstract Alumina Josephson junction has demonstrated a tremendous potential to realize superconducting qubits. Further progress towards scalable superconducting qubits urgently needs to be guided by novel analysis mechanisms or methods to reduce the thickness sensitivity of the junction critical current to the tunnel barrier. Here, it is first revealed that the termination mode of AlOx interface plays a crucial role in the uniformity of critical current, and we demonstrate that the O-terminated interface has the lowest resistance sensitivity to thickness. More impressively, we developed atomically structured three-dimensional models and calculated their transport properties using a combination of quantum ballistic transport theory with first-principles DFT and NEGF to examine the effects of the Al2O3 termination mode and thickness variations. This work clarifies that O-terminated interface can effectively improve the resistance uniformity of Josephson junction, offering useful guidance for increasing the yield of fixed-frequency multi-qubit quantum chips which require tight control on qubit frequency.
The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. We use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.
Superconducting qubits based on Al/AlOx/Al Josephson junction are one of the most promising candidates for the physical implementation of universal quantum computers. Due to scalability and compatibility with the state-of-the-art nanoelectronic processes one can fabricate hundreds of qubits on a single silicon chip. However, decoherence in these systems caused by two-level-systems in amorphous dielectrics, including a tunneling barrier AlOx, is one of the major problems. We report on a Josephson junction thermal annealing process development to crystallize an amorphous barrier oxide (AlOx). The dependences of the thermal annealing parameters on the room temperature resistance are obtained. The developed method allows not only to increase the Josephson junction resistance by 175%, but also to decrease by 60% with precisions of 10% in Rn. Finally, theoretical assumptions about the structure modification in tunnel barrier are proposed. The suggested thermal annealing approach can be used to form a stable and reproducible tunneling barriers and scalable frequency trimming for a widely used fixed-frequency transmon qubits.
The interfacial microstructures of Josephson junctions are vital for understanding the microscopic mechanism to improve the performance of superconducting qubits further. However, there remain significant concerns about well understanding the correlation between atomic structures and electrical behaviors. Here, we propose a new method to define the interface of the barrier in Josephson junctions, and investigate the factors that affect the electrical properties of junctions using material analysis techniques and first principles. We find that the aluminium-oxygen ratio of the interface contributes greatly to the electrical properties of junctions, which is consistent with the conclusions obtained by utilizing the generative adversarial network for data augmentation. When the aluminium-oxygen ratio of the interface is 0.67-1.1, the model exhibits a lower barrier height and better electrical properties of the junction. Moreover, when the thickness of the barrier is fixed, the impact of the aluminium-oxygen ratio becomes prominent. A detailed analysis of Josephson junctions using a microscopic model has led to identifying of process defects that can enhance the yield rate of chips. It has a great boost for determining the relationship between microstructures and macroscopic performances.
Reproducible Josephson junction (JJ) characteristics are essential for frequency-deterministic and scalable superconducting quantum processors. We show that the normal-state resistance and its reproducibility in Al/AlOx/Al JJs are governed not by oxide thickness, but by fabrication-history–induced disorder in the tunneling barrier. By comparing junctions fabricated on bare wafers, lift-off–processed base layers, and dry-etched base layers under identical oxidation conditions, we observe large differences in resistance and wafer-to-wafer variability. Atomic force microscopy reveals distinct surface disorder imprinted by prior fabrication steps, while cross-sectional transmission electron microscopy show that the average AlOx barrier thickness is comparable across the three fabrication histories within experimental uncertainty. The enhanced resistance on rough, plasma-damaged surfaces therefore originates from nanoscale barrier disorder rather than thickness variations. These results establish fabrication history as a key determinant of JJ barrier quality and highlight the need for holistic process control to achieve deterministic qubit frequency targeting.
Defects at the interfaces in the Josephson junction (JJ) are well known as a primary source of decoherence in superconducting quantum devices, indicating the necessity of elucidating defect reaction mechanisms to improve qubit performance. However, their micromechanism remains elusive. Here, we reveal the micromechanism of defects affecting the transport properties by building interfacial defective JJ device models combined with density functional theory (DFT) and nonequilibrium Green’s function (NEGF) approach. By comparing the conductance values of various interface classification models with oxygen vacancies (OVs), we find that the aluminum-rich (Al-rich) interface exhibits the smallest conductance variation, resulting in less qubit frequency fluctuations, and this can be further explained by changes in the electrostatic potential relative to the average barrier height. More importantly, the Al-rich interface demonstrates the highest stability. This work provides a theoretical basis and optimization direction for superconducting quantum chip fabrication.
Achieving uniform critical current across Josephson junctions is essential for the large-scale integration of superconducting quantum circuits. In this work, we statistically analyzed the variation of the critical current of Al/AlOx/Al junctions using room-temperature tunnel resistance statistics and identified the dominant contribution among the modeled sources of the variation based on their dependence on geometry and deposition conditions of junctions. Our model-based analysis reveals that fluctuations in the Al film thickness play the dominant role among the modeled contributing factors. Based on this analysis, we found that, in Dolan-bridge double-angle deposition, adopting a deposition angle of 30° for bilayer junctions significantly improves uniformity, yielding a relative standard deviation of 1.2% (0.5%) across a 9.75 mm (1.5 mm) square region.