Optically active spin defects in semiconductors and insulators, also known as color centers, have emerged as highly promising platforms for qubits. In recent years, the search for color centers that possess both excellent optical and spin properties has become a major focus of research. In this work, using first-principles calculations, we theoretically predict ${{\mathrm{V}}_{\mathrm{Si}}}^{2-}$ defect in 4H- and 6H-SiC as a promising color center with high spin ($\mathrm{S}=1$), exhibiting a relatively weak electron-phonon coupling that leads to a large Debye-Waller factor (>10%). Additionally, its NV-like electronic structure and local environment result in a significant zero-field splitting ($1.16-1.29\mathrm{GHz}$) and a long spin coherence time (>1.3 ms). Combining the advantages of known color centers, ${{\mathrm{V}}_{\mathrm{Si}}}^{2-}$ in SiC exhibits outstanding optical and spin properties, which can serve as an ideal system for qubits. Furthermore, we find that ${{\mathrm{V}}_{\mathrm{Si}}}^{2-}$ is also a promising single-photon source in the IR-B and IR-C region for long-distance communications, addressing the current gap in quantum-coherent materials.

Close

PrevNext

View figure in article

• Color centers
• Defects
• Qubits
• Silicon vacancies
• Semiconductors
• Density functional theory