Generalized scaling of spin qubit coherence in over 12,000 host materials

Spin defect centers with long quantum coherence times (T-2) are key solid-state platforms for a variety of quantum applications. Cluster correlation expansion (CCE) techniques have emerged as a powerful tool to simulate the T-2 of defect electron spins in these solid-state systems with good accuracy. Here, based on CCE, we uncover an algebraic expression for T-2 generalized for host compounds with dilute nuclear spin baths under a magnetic field that enables a quantitative and comprehensive materials exploration with a near instantaneous estimate of the coherence time. We investigated more than 12,000 host compounds at natural isotopic abundance and found that silicon carbide (SiC), a prominent widegap semiconductor for quantum applications, possesses the longest coherence times among widegap nonchalcogenides. In addition, more than 700 chalcogenides are shown to possess a longer T-2 than SiC. We suggest potential host compounds with promisingly long T-2 up to 47 ms and pave the way to explore unprecedented functional materials for quantum applications.

Automated summary

In this study, an algebraic expression for the quantum coherence time (T-2) of spin defect centers in host compounds is uncovered based on cluster correlation expansion (CCE) technique. By investigating over 12,000 host compounds, silicon carbide (SiC) is found to possess the longest coherence times among widegap nonchalcogenides, while more than 700 chalcogenides possess longer T-2 than SiC. Potential host compounds with promisingly long T-2 up to 47 ms are suggested, paving the way for exploring unprecedented functional materials for quantum applications.