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

Abstract

Spin defect centers with long quantum coherence times (T2) 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 T2 of defect electron spins in these solid-state systems with good accuracy. Here, based on CCE, we uncover an algebraic expression for T2 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 T2 than SiC. We suggest potential host compounds with promisingly long T2 up to 47 ms and pave the way to explore unprecedented functional materials for quantum applications.