- 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.