Table 1 Parameters used in the nextnano simulation.

From: Charge state manipulation of qubits in diamond

Temperature

298.15 K

 

Diamond size

3150 nm

 

Conduction band energies, diamond

7.35, 5.47, 5.47 eV

 

VBM

2.12

(m0), hh

 

0.70

(m0), lh

 

1.06

(m0), so

Dielectric constant

5.68

 

Doping: nitrogen (bulk)

50 p.p.b.*

 

Ionization energy, nitrogen

1.7 eV30

 

Ionization energy, NV−

2.58 eV

 

Electrolyte

10 mM K-PBS buffer, 50 mM KCl, pH7

 

Electrolyte size

150 nm

 

Grid size

Down to 0.1 nm at the diamond/electrolyte interface

 
  1. *The higher nitrogen impurity level used in the simulations accounts for additional defects present in the diamond lattice.
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