While conventional computers use classical bits for calculations, quantum computers use quantum bits, or qubits, instead. While classical bits can have the values 0 or 1, qubits can exist in a mix of probabilities of both values at the same time. This makes quantum computing extremely powerful for problems conventional computers aren’t good at solving. To build large-scale quantum computers, researchers need to understand how to create and control materials that are suitable for industrial-scale manufacturing.

Semiconductors are very promising qubit materials. Semiconductors already make up the computer chips in cell phones, computers, medical equipment, and other applications. Certain types of atomic-scale defects, called vacancies, in the semiconductor silicon carbide (SiC) show promise as qubits. However, scientists have a limited understanding of how to generate and control these defects. By using a combination of atomic-level simulations, researchers were able to track how these vacancies form and behave.

Quantum computing could revolutionize our ability to answer challenging questions. Existing small scale quantum computers have given a glimpse of the technology’s power. To build and deploy large-scale quantum computers, researchers need to know how to control qubits made of materials that make technical and economic sense for industry.

The research identified the stability and molecular pathways to create the desired vacancies for qubits and determine their electronic properties.

These advances will help the design and fabrication of spin-based qubits with atomic precision in semiconductor materials, ultimately accelerating the development of next-generation large-scale quantum computers and quantum sensors.

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