Table 4 Calculated formation (\(\Delta \textrm{E}_{\textrm{f}}\)) and binding (\(\textrm{E}_{\textrm{b}}\)) energies of neutral defect complexes at HSE06 level.
From: First-Principles insights into group-V impurities and their impact on germanium detector performance
Dopant | Â | DD | DV | VDV | DDD | DVD | DDV |
|---|---|---|---|---|---|---|---|
\(\textrm{N}\) | \(\Delta \textrm{E}_{\textrm{f}}\) (eV) | 3.28 | 4.69 | 8.25 | 5.69 | 5.11 | 6.99 |
\(\textrm{E}_{\textrm{b}}\) (eV) | -2.26 | -1.90 | -2.16 | -2.62 | -4.25 | -2.37 | |
\(\textrm{P}\) | \(\Delta \textrm{E}_{\textrm{f}}\) (eV) | 1.05 | 3.08 | 6.84 | 1.65 | 2.16 | 3.10 |
\(\textrm{E}_{\textrm{b}}\) (eV) | -0.03 | -1.28 | -1.35 | 0.02 | -2.74 | -1.81 | |
\(\textrm{As}\) | \(\Delta \textrm{E}_{\textrm{f}}\) (eV) | 1.38 | 3.06 | 6.69 | 1.92 | 2.18 | - |
\(\textrm{E}_{\textrm{b}}\) (eV) | 0.09 | -1.40 | -1.60 | -0.01 | -2.94 | - | |
\(\textrm{Sb}\) | \(\Delta \textrm{E}_{\textrm{f}}\) (eV) | 1.91 | 3.14 | 6.39 | 3.25 | 2.43 | - |
\(\textrm{E}_{\textrm{b}}\) (eV) | 0.26 | -1.51 | -2.07 | 0.78 | -3.05 | - |
