Identifying candidate hosts for quantum defects via data mining

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 580 viable host substrates for quantum defect introduction and use in quantum information systems. While this constitutes a significant increase in the number of known and potentially viable material systems, it nonetheless represents a significant (99.54%) 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.

Currently under consideration at npj Computational Materials

References in corpus (25)

• The Quantum Internet
• Van der Waals density functionals applied to solids
• High-sensitivity diamond magnetometer with nanoscale resolution
• Nanometer scale quantum thermometry in a living cell
• High-throughput electronic band structure calculations: challenges and tools
• AFLOW: An automatic framework for high-throughput materials discovery
• Sensing electric fields using single diamond spins
• Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
• Quantum computing with defects
• Electron spin coherence exceeding seconds in high purity silicon
• Universal Fragment Descriptors for Predicting Electronic Properties of Inorganic Crystals
• Low Hole Effective Mass p-type Transparent Conducting Oxides: Identification and Design Principles
• High Resolution Magnetic Resonance Spectroscopy Using Solid-State Spins
• High Mobility in a Stable Transparent Perovskite Oxide
• Bandgap and doping effects in MoS2 measured by Scanning Tunneling Microscopy and Spectroscopy
• Isolating and enhancing the emission of single erbium ions using a silicon nanophotonic cavity
• Chalcogenide Perovskites- an Emerging Class of Ionic Semiconductors
• Quantum Nonlinear Optics with a Germanium-Vacancy Color Center in a Nanoscale Diamond Waveguide
• Band-Gap Control via Structural and Chemical Tuning of Transition Metal Perovskite Chalcogenides
• All-optical initialization, readout, and coherent preparation of single silicon-vacancy spins in diamond
• Observation of an environmentally insensitive solid state spin defect in diamond
• Optically addressing single rare-earth ions in a nanophotonic cavity
• Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
• Photo-Seebeck effect in tetragonal PbO single crystals
• Ba_{2}TeO as an optoelectronic material: First-principles study