Seung Hyun Park

D Minus

Single Impurity Electronics D- Modeling for As Donors Rajib Rahman, Seung Hyun Park, Gerhard Klimeck


  • Obtain two electron binding energy for Group V donors as a function of E-fields and donor depths.
  • D- ground and excited states: Analyze measured Coulomb diamonds from Transport Spectroscopy measurements.


  • Use a domain of 1.4 M atoms with 1 donor.
  • 2nd SCF:
    1. Obtain wf from NEMO
    2. Calculate electron density and Coulomb repulsion potential
    3. Repeat NEMO simulation with the new potential.
    4. Break when D- energy has converged.
  • 3rd: On-going: D- from configuration interaction


  • In the Hartree approximation, D- energy for a bulk donor varies by about 2 meV from measured value.
  • D- with field (0 to 50 MV/m) for a donor 3.8 nm from interface.
  • Next step : Model interface screening.

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