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Abstract Solid state quantum defects are promising candidates for scalable quantum information systems which can be seamlessly integrated with the conventional semiconductor electronic devices within the 3D monolithically integrated hybrid classical-quantum devices. Diamond nitrogen-vacancy (NV) center defects are the representative examples, but the controlled positioning of an NV center within bulk diamond is an outstanding challenge. Furthermore, quantum defect properties may not be easily tuned for bulk crystalline quantum defects. In comparison, 2D semiconductors, such as transition metal dichalcogenides (TMDs), are promising solid platform to host a quantum defect with tunable properties and a possibility of position control. Here, we computationally discover a promising defect family for spin qubit realization in 2D TMDs. The defects consist of transition metal atoms substituted at chalcogen sites with desirable spin-triplet ground state, zero-field splitting in the tens of GHz, and strong zero-phonon coupling to optical transitions in the highly desirable telecom band. 

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.