D- Modeling for As Donors


  • D- ground and excited states: Analyze measured Coulomb diamonds from Transport Spectroscopy measurements.
  • Obtain 2e binding energy of donors with E-fields and donor depths: important in spin-dependent tunneling and measurement.


  • 1st approach: SCF Hartree method.
      Use a domain of 1.4 M atoms with 1 donor
    • Obtain wf from NEMO
    • Calculate electron density and Coulomb repulsion potential
    • Repeat NEMO with the new potential.
    • Stop when D- energy has converged.
  • On-going: D- from configuration interaction

Results (incomplete work):

  • D- energy for a bulk donor within 2 meV from measured value
  • D- vs. Depth & field calculations.
  • Explains charging energy of some samples
  • Screening likely to play a role.

Group member involved: