Impurities

Hyperfine Interaction (HF)

Objective:

  • Study Stark Shift of hyperfine coupling
  • Compare with experiment, BMB & EMT
  • Investigate interface effects for realistic systems
  • Establish the physics of quadratic and linear Stark coefficients

Approach:

  • Use 3.5 M atomistic domain with single P impurity in NEMO 3D under realistic BCs & E-fields
  • TB approach optimized for P donors
  • Vary impurity depth from interface
  • Solve the 20 band spin Hamiltonian by parallel Lanczos algorithm

Results/Impact:

  • Quadratic Stark coefficient from TB, BMB & experiment agree well
  • EMT estimate differs by an order of magnitude
  • Proximity of impurity to interface produces significant linear Stark effect

Group member involved: