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

TL;DR

This study develops a generalized algebraic model for spin qubit coherence times in over 12,000 host materials, enabling rapid material screening for quantum technologies and identifying promising candidates like SiC and chalcogenides.

Contribution

The paper introduces a new algebraic expression for $T_2$ based on CCE, allowing fast and comprehensive exploration of materials for long qubit coherence.

Findings

Silicon carbide (SiC) has the longest $T_2$ among widegap non-chalcogenides.

Over 700 chalcogenides exhibit longer $T_2$ than SiC.

Potential host materials with $T_2$ up to 47 ms identified.

Abstract

Spin defect centers with long quantum coherence times ($T_2$) are key solid-state platforms for a variety of quantum applications. Recently, 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, which enables a quantitative and comprehensive materials exploration with a near instantaneous estimate of the coherence. We investigate more than 12,000 host compounds at natural isotopic abundance, and find that silicon carbide (SiC), a prominent widegap semiconductor for quantum applications, possesses the longest coherence times among widegap non-chalcogenides. In addition, more than 700 chalcogenides are shown to possess a longer $T_2$ than SiC. We suggest new potential host compounds with promisingly long $T_2$ up to 47 ms, and pave the way to explore unprecedented functional materials for quantum applications.