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In Silico Engineering of Defect Spins in Silicon Carbide for Solid-State Hybrid Quantum Technologies

Dang Huy Ngo, Huyen-Trang T. Le, Tien-Lam Pham, Thi Minh Hoa Nghiem, Ngoc Linh Nguyen

Journal of Physics Conference Series, 2026

Abstract

Abstract Spin defects in wide-bandgap semiconductors hold great promise for the implementation of solid-state quantum bits (qubits) within quantum technologies. These defective qubits can be engineered by applying external optical, electrical, or mechanical controls. In this study, we present electrical- and strain-driven approaches for the deliberate design of defect spins in functional silicon carbide that could serve as qubits. By employing advanced ab-initio calculations based on the standard density functional theory, we predict that the divacancy centers in silicon carbide exhibit spin-triplet ground states, and their electronic and spin-related properties can be tuned by applying the electric field and the realistic uniaxial and biaxial strains. These spin defects can be effectively used to realize qubits. The strain-driven strategy demonstrated in this work can be readily extended to a broad range of point defects in other wide-bandgap semiconductors, thus paving the way for manipulating the spin properties of defects in ionic systems, leading to potential advancements in spintronic technologies.

How strong is the evidence?

Evidence Hub reads this as a simulation / modelling, done in computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.

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