Bi1I1Te1
MatHub2d-105-Bi1I1Te1
| Property | Value |
|---|---|
| Space group | (156, 'P3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.55 |
| Free energy (eV) | -9.653 |
| Free energy / atom (eV) | -3.218 |
| a, b, c (Å): | 4.384 | 4.384 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.400 | 4.400 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Bi1I1Te1
Bi1I1Te1
| Property | Value |
|---|---|
| Band gap | 1.55 eV |
| E-fermi | -3.398 eV |
| Vacuum level | 2.336 eV |
| VBM | -3.609 eV |
| CBM | -2.057 eV |
| Work function | 5.734 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 27.448 | 7.573 | -0.000 |
| yy | 7.573 | 27.448 | 0.000 |
| xy | -0.000 | 0.000 | 9.937 |
| Phonon mode at Γ point (THz) |
|---|
| -0.007 |
| -0.004 |
| -0.004 |
| 1.815 |
| 1.815 |
| 2.979 |
| 3.108 |
| 3.108 |
| 4.475 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | JVASP-6229 |