Calculated total and partial BOD, effective charge Q*, and physical parameters of amorphous Zn(Im)2−x(bIm)x.
| Models | x = 0 | x = 0.15 | x = 0.26 | x = 0.37 | x = 0.5 | x = 0.67 |
|---|---|---|---|---|---|---|
| PBOD | ||||||
| C–C | 0.00395 | 0.00505 | 0.00613 | 0.00701 | 0.00807 | 0.00932 |
| C–H | 0.00832 | 0.00842 | 0.00893 | 0.00916 | 0.00948 | 0.00979 |
| C–N | 0.01259 | 0.01209 | 0.01238 | 0.01225 | 0.01217 | 0.01195 |
| Zn–N | 0.00271 | 0.00260 | 0.00267 | 0.00265 | 0.00264 | 0.00261 |
| TBOD | 0.02757 | 0.02816 | 0.03012 | 0.03107 | 0.03235 | 0.03368 |
| E g (eV) | 4.52 | 3.29 | 3.24 | 3.22 | 3.18 | 3.2 |
| n | 1.432 | 1.448 | 1.478 | 1.493 | 1.512 | 1.532 |
| Q* | ||||||
| C | 4.092 | 4.102 | 4.105 | 4.107 | 4.106 | 4.107 |
| N | 5.451 | 5.443 | 5.446 | 5.449 | 5.453 | 5.458 |
| H | 0.758 | 0.756 | 0.752 | 0.749 | 0.748 | 0.746 |
| Zn | 11.095 | 11.091 | 11.092 | 11.095 | 11.103 | 11.111 |
| ΔQ | ||||||
| C | −0.092 | −0.102 | −0.105 | −0.107 | −0.106 | −0.107 |
| N | −0.451 | −0.443 | −0.446 | −0.449 | −0.453 | −0.458 |
| H | 0.242 | 0.244 | 0.248 | 0.251 | 0.252 | 0.254 |
| Zn | 0.905 | 0.909 | 0.908 | 0.905 | 0.897 | 0.889 |
| ω p (eV) | 15.609 | 15.721 | 15.720 | 15.752 | 16.591 | 16.566 |