The calculated band gap in comparison with the available experimental and theoretical data, effective masses of conductive electron
and hole
and reduced effective mass
in the unit of free electron mass (me), static dielectric constant (εs), and exciton properties including exciton binding energy (Eb) and exciton radius
for HDPs Cs2AgBX6 (B = In, Sb; X = F, Cl, Br, I). The values in the brackets indicate the previous data.
| Compound | E g (eV) | Effective mass | ε s | Exciton property | |||
|---|---|---|---|---|---|---|---|
|
|
|
E b (meV) |
(nm) |
|||
| Cs2AgInF6 | 4.74 | 0.409 | 1.332 | 0.313 | 2.170 | 904 | 0.367 |
| Cs2AgInCl6 | 3.02 (3.3a) | 0.272 (0.29a) | 0.520 (0.28a) | 0.178 | 2.760 | 319 | 0.819 |
| Cs2AgInBr6 | 1.78 (1.5b) | 0.161 | 0.381 | 0.113 | 3.750 | 110 | 1.750 |
| Cs2AgInI6 | 0.06 | 0.106 | 0.297 | 0.078 | 7.321 | 20 | 4.958 |
| Cs2AgSbF6 | 4.94 | 0.588 | 0.760 | 0.332 | 2.119 | 1005 | 0.338 |
| Cs2AgSbCl6 | 3.32 (3.43c) | 0.354 | 0.429 | 0.194 | 2.639 (4.77c) | 379 (434c) | 0.719 (0.56c) |
| Cs2AgSbBr6 | 2.30 (2.74c) | 0.269 | 0.373 | 0.156 | 3.345 (5.96c) | 190 (247c) | 1.132 (0.76c) |
| Cs2AgSbI6 | 1.40 | 0.194 | 0.325 | 0.121 | 4.634 | 77 | 2.020 |
(nm)