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