Br2V1
MatHub2d-201-Br2V1
| Property | Value |
|---|---|
| Space group | (187, 'P-6m2') |
| Crystal system | hexagonal |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 1.30 |
| Free energy (eV) | -12.730 |
| Free energy / atom (eV) | -4.243 |
| a, b, c (Å): | 3.440 | 3.440 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 3.559 | 3.559 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Br2V1
Br2V1
| Property | Value |
|---|---|
| Band gap | 1.28 eV |
| E-fermi | -2.535 eV |
| VBM | -2.958 eV |
| CBM | -1.679 eV |
| Free energy (eV) | -12.791 |
| Free energy / atom (eV) | -4.264 |
Br2V1
| Property | Value |
|---|---|
| Band gap | 1.30 eV |
| E-fermi | -2.631 eV |
| Vacuum level | 2.009 eV |
| VBM | -2.961 eV |
| CBM | -1.659 eV |
| Work function | 4.640 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 35.368 | 12.334 | 0.000 |
| yy | 12.334 | 35.368 | 0.000 |
| xy | 0.000 | 0.000 | 11.517 |
| Phonon mode at Γ point (THz) |
|---|
| -0.014 |
| -0.014 |
| -0.014 |
| 1.674 |
| 1.674 |
| 2.973 |
| 3.560 |
| 3.560 |
| 4.265 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1075 |