Spin Defects

Principal Investigators: Giulia Galli, Marco Govoni, Francois Gygi, and Joe Heremans (experimentalist)

Optical and coherence properties of spin-defects in wide band-gap semiconductors for qubits and quantum sensors: validation focuses on free-energy surfaces of point defects in three-dimensional (3-D) crystals and electronic properties of spin defects, as well as material strain fields.

Target systems and properties

  • Defects in diamond thin films and SiC
  • Free energies of formation
  • Photoluminescence spectra
  • Optically detected magnetic resonance
  • Hahn-echo spectroscopic measurements

Codes and models to be validated

  • Spin coherence times (WEST)
  • Qbox-SSAGES coupling
  • Machine-learning-based automatic collective variables (SSAGES)