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GPU-accelerated Search for Novel Optically Active Defects in Diamond and Silicon Carbide for Quantum Sensing Applications

POSTER

Abstract

The nitrogen-vacancy center in diamond (NV-) is the most researched color center in the field of quantum sensing. However, with hundreds of potential color centers, optically active defects may be found that demonstrate improvements in operation range or technological application as compared to the NV- site. Research into quantum sensors has explored various chemical element groups, but there is still considerable room for exploration and development. To help address this, we initiated a search for new defects in diamond and silicon carbide to determine their potential for quantum sensing application. Defect properties are calculated using density functional theory within a supercell framework with GPU-acceleration. We examined titanium, chromium, and yttrium defects in diamond, and titanium in silicon carbide. Defects are characterized with respect to formation energy, defect energy levels, and zero-phonon line (ZPL). We evaluate the sensing potential with regard to potential to form and optical accessibility.

Authors

  • Asher Chok

    Bob Jones University

  • Robert Grzywacz

    Moscow Institute of Physics and Technology, University of Virginia, California Institute of Technology, National High Magnetic Field Laboratory, University and Student Affairs; Oak Ridge Laboratory, Brookhaven National Laboratory, Physicist, Brookhaven National Laboratory, Oak Ridge National Laboratory, USA, Center for Nuclear Study, University of Tokyo, Advanced Science Research Center, Japan Atomic Energy Agency, Florida State University, Presidency University, Kolkata, INDIA, VECC,Kolkata, INDIA, SINP,Kolkata, INDIA, UGC-DAE CSR (Kolkata), INDIA, IFIN-HH, ELI-NP, Romania, Variable Energy Cyclotron Centre,Kolkata, INDIA, IEM, Kolkata, India, Victoria Institution (College), Kolkata, INDIA, Variable Energy Cyclotron Centre, Kolkata, INDIA, NHMFL; Florida State University, FAMU-FSU College of Engineering, Florida State University, Physics Department, Florida State University, Mississippi State University, NHMFL-FSU, U. Colorado at Boulder, NHMFL, University of Alabama at Birmingham, Oak Ridge National Laboratory, Argonne National Laboratory, Alabama School of Math and Science, University of South Alabama, University of Florida, University of Notre Dame, University of Texas at Dallas, Bob Jones University, University of Tennessee at Chattanooga, The Autonomous University of San Luis Potosí, Northern Arizona University, Flagstaff, AZ, Harvard-Smithsonian Center for Astrophysics, Cambridge, National Institute of Standards and Technology, Clemson University, University of South Florida, Phenikaa University, University of Ulsan, Ohio University, University of Hawaii, University of California, Davis, University of California, Davis., Saleh Research Centre, Department of Physics, Florida State university, Tallahassee, FL32306, USA, WestCHEM, School of Chemistry, University of Glasgow, Glasgow, G12 8QQ, UK, Professor, facility manager, Student, Florida State University(Former), Hebrew University, Israel \& Ioffe Institute, St.\ Petersburg, Russia, University of Tennessee, Knoxville

  • Robert Grzywacz

    Moscow Institute of Physics and Technology, University of Virginia, California Institute of Technology, National High Magnetic Field Laboratory, University and Student Affairs; Oak Ridge Laboratory, Brookhaven National Laboratory, Physicist, Brookhaven National Laboratory, Oak Ridge National Laboratory, USA, Center for Nuclear Study, University of Tokyo, Advanced Science Research Center, Japan Atomic Energy Agency, Florida State University, Presidency University, Kolkata, INDIA, VECC,Kolkata, INDIA, SINP,Kolkata, INDIA, UGC-DAE CSR (Kolkata), INDIA, IFIN-HH, ELI-NP, Romania, Variable Energy Cyclotron Centre,Kolkata, INDIA, IEM, Kolkata, India, Victoria Institution (College), Kolkata, INDIA, Variable Energy Cyclotron Centre, Kolkata, INDIA, NHMFL; Florida State University, FAMU-FSU College of Engineering, Florida State University, Physics Department, Florida State University, Mississippi State University, NHMFL-FSU, U. Colorado at Boulder, NHMFL, University of Alabama at Birmingham, Oak Ridge National Laboratory, Argonne National Laboratory, Alabama School of Math and Science, University of South Alabama, University of Florida, University of Notre Dame, University of Texas at Dallas, Bob Jones University, University of Tennessee at Chattanooga, The Autonomous University of San Luis Potosí, Northern Arizona University, Flagstaff, AZ, Harvard-Smithsonian Center for Astrophysics, Cambridge, National Institute of Standards and Technology, Clemson University, University of South Florida, Phenikaa University, University of Ulsan, Ohio University, University of Hawaii, University of California, Davis, University of California, Davis., Saleh Research Centre, Department of Physics, Florida State university, Tallahassee, FL32306, USA, WestCHEM, School of Chemistry, University of Glasgow, Glasgow, G12 8QQ, UK, Professor, facility manager, Student, Florida State University(Former), Hebrew University, Israel \& Ioffe Institute, St.\ Petersburg, Russia, University of Tennessee, Knoxville

  • Robert Grzywacz

    Moscow Institute of Physics and Technology, University of Virginia, California Institute of Technology, National High Magnetic Field Laboratory, University and Student Affairs; Oak Ridge Laboratory, Brookhaven National Laboratory, Physicist, Brookhaven National Laboratory, Oak Ridge National Laboratory, USA, Center for Nuclear Study, University of Tokyo, Advanced Science Research Center, Japan Atomic Energy Agency, Florida State University, Presidency University, Kolkata, INDIA, VECC,Kolkata, INDIA, SINP,Kolkata, INDIA, UGC-DAE CSR (Kolkata), INDIA, IFIN-HH, ELI-NP, Romania, Variable Energy Cyclotron Centre,Kolkata, INDIA, IEM, Kolkata, India, Victoria Institution (College), Kolkata, INDIA, Variable Energy Cyclotron Centre, Kolkata, INDIA, NHMFL; Florida State University, FAMU-FSU College of Engineering, Florida State University, Physics Department, Florida State University, Mississippi State University, NHMFL-FSU, U. Colorado at Boulder, NHMFL, University of Alabama at Birmingham, Oak Ridge National Laboratory, Argonne National Laboratory, Alabama School of Math and Science, University of South Alabama, University of Florida, University of Notre Dame, University of Texas at Dallas, Bob Jones University, University of Tennessee at Chattanooga, The Autonomous University of San Luis Potosí, Northern Arizona University, Flagstaff, AZ, Harvard-Smithsonian Center for Astrophysics, Cambridge, National Institute of Standards and Technology, Clemson University, University of South Florida, Phenikaa University, University of Ulsan, Ohio University, University of Hawaii, University of California, Davis, University of California, Davis., Saleh Research Centre, Department of Physics, Florida State university, Tallahassee, FL32306, USA, WestCHEM, School of Chemistry, University of Glasgow, Glasgow, G12 8QQ, UK, Professor, facility manager, Student, Florida State University(Former), Hebrew University, Israel \& Ioffe Institute, St.\ Petersburg, Russia, University of Tennessee, Knoxville

  • N. W. Gothard

    Bob Jones University