Bi1Cl1Te1
MatHub2d-103-Bi1Cl1Te1
| Property | Value |
|---|---|
| Space group | (156, 'P3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.74 |
| Free energy (eV) | -10.640 |
| Free energy / atom (eV) | -3.547 |
| a, b, c (Å): | 4.278 | 4.278 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.332 | 4.332 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Bi1Cl1Te1
Bi1Cl1Te1
| Property | Value |
|---|---|
| Band gap | 1.74 eV |
| E-fermi | -4.216 eV |
| Vacuum level | 2.299 eV |
| VBM | -4.503 eV |
| CBM | -2.760 eV |
| Work function | 6.516 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 29.086 | 6.825 | -0.000 |
| yy | 6.825 | 29.086 | 0.000 |
| xy | -0.000 | 0.000 | 11.130 |
| Phonon mode at Γ point (THz) |
|---|
| -0.002 |
| -0.001 |
| -0.001 |
| 2.553 |
| 2.553 |
| 3.735 |
| 3.735 |
| 4.271 |
| 5.390 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | JVASP-6163 |