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arXiv:2603.15343

Ab Initio Study of Erbium Point Defects in 4H-SiC for Quantum Devices

Michael Kuban

quant-phphysics.comp-phSubmitted Mar 16, 2026• Announced Mar 17, 2026
arXivHTMLPDF

Abstract

Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of semiconductor manufacturing and ion implantation technology. Single erbium defect centers in 4H-SiC are examples of such defects that provide access to discrete defect-induced electron energy levels within the bulk material bandgap, which can be utilized for a variety of quantum technologies, such as single-photon emission for secure communication and distributed quantum computing. This work presents a first-principles study of erbium point defects in 4H-SiC using density functional theory. These results provide materials-level support for the development of Er point defects in 4H-SiC as a scalable platform for quantum devices, helping to bridge the gap between quantum physics and the practical realization of quantum networks.

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Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of semiconductor manufacturing and ion implantation technology. Single erbium defect centers in 4H-SiC are examples of such defects that provide access to discrete defect-induced electron energy levels within the bulk material bandgap, which can be utilized for a variety of quantum technologies, such as single-photon emission for secure communication and distributed quantum computing. This work presents a first-principles study of erbium point defects in 4H-SiC using density functional theory. These results provide materials-level support for the development of Er point defects in 4H-SiC as a scalable platform for quantum devices, helping to bridge the gap between quantum physics and the practical realization of quantum networks.
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Abstract Optically active point defects in wide‐bandgap crystals are leading building blocks for quantum information technologies including quantum processors, repeaters, simulators, and sensors. Although defects and impurities are ubiquitous in all materials, select defect configurations in certain materials harbor coherent electronic and nuclear quantum states that can be optically and electronically addressed in solid‐state devices, in some cases even at room temperature. Historically, the study of quantum point defects has been limited to a relatively small set of host materials and defect systems. In this article, we consider the potential for identifying defects in new materials, either to advance known applications in quantum science or to enable entirely new capabilities. We propose that, in principle, it should be possible to reverse the historical approach, which is partially based on accidental discovery, in order to design quantum defects with desired properties suitable for specific applications. We discuss the biggest obstacles on the road towards this goal, in particular those related to theoretical prediction, materials growth and processing, and experimental characterization.
Silicon carbide (SiC) has become a key player in the realization of scalable quantum technologies due to its ability to host optically addressable spin qubits and wafer-size samples. Here, we have demonstrated optically detected magnetic resonance (ODMR) with resonant excitation and clearly identified the ground state energy levels of the NV centers in 4H-SiC. Coherent manipulation of NV centers in SiC has been achieved with Rabi and Ramsey oscillations. Finally, we show the successful generation and characterization of single nitrogen vacancy (NV) center in SiC employing ion implantation. Our results highligh the key role of NV centers in SiC as a potential candidate for quantum information processing.