Bi4Se6
MatHub2d-1165-Bi4Se6
| Property | Value |
|---|---|
| Space group | (11, 'P2_1/m') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.15 |
| Free energy (eV) | -40.029 |
| Free energy / atom (eV) | -4.003 |
| a, b, c (Å): | 9.964 | 4.173 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 10.302 | 4.181 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Bi4Se6
Bi4Se6
| Property | Value |
|---|---|
| Band gap | 1.15 eV |
| E-fermi | -3.170 eV |
| Vacuum level | 2.166 eV |
| VBM | -3.484 eV |
| CBM | -2.337 eV |
| Work function | 5.336 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 16.612 | 8.695 | -0.000 |
| yy | 8.695 | 46.926 | 0.000 |
| xy | -0.000 | 0.000 | 15.180 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | JVASP-6736 |