Abstract

Atom-like defects in solid-state hosts are promising candidates for the development of quantum information systems, but despite their importance, the host substrate/defect combinations currently under study have almost exclusively been found serendipitously. Here we systematically evaluate the suitability of host materials by applying a combined four-stage data mining and manual screening process to all entries in the Materials Project database, with literature-based experimental confirmation of band gap values. We identify a total of 541 viable hosts (16 unary and 74 binary) for quantum defect introduction and potential use in quantum information systems. This represents a significant (99.57%) reduction from the total number of known inorganic phases, and the application of additional selection criteria for specific applications will reduce their number even further. The screening principles outlined may easily be applied to previously unrealized phases and other technologically important materials systems.

Highlights

  • In recent years, significant effort has been devoted to the realization of functional systems for quantum information science (QIS)

  • Of the 125,223 inorganic compounds listed in the Materials Project database, a maximum of 541 phases (0.43%) are found to fit the criteria outlined above as suitable hosts for quantum defects (Fig. 2a)

  • A combination of automatic database and subsequent manual screening was performed to ensure that each reported phase possessed the necessary electronic, magnetic, and optical properties, as well as stability under standard conditions, necessary for application in QIS

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Summary

Introduction

Significant effort has been devoted to the realization of functional systems for quantum information science (QIS). The quantum coherence characteristics of the atomic defect, low defect concentrations, and quality of the host when combined should allow for long spin coherence and efficient optical transitions, properties ideal for nanoscale sensing under ambient conditions[3] Several such atomic defect systems, including vacancy centers in diamond[4,5,6,7,8,9] and silicon carbide[10] have been extensively studied for several applications, in particular quantum networks[11,12], magnetometry and nanoscale sensors of magnetic fields[3,13,14], electric fields[15], temperature[16,17] or chemical composition using NMR18,19, often under ambient conditions at room temperature[20]. This is done most efficiently through a computational search that substantially narrows the field of potential candidates

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