Br6Re2
MatHub2d-242-Br6Re2
| Property | Value |
|---|---|
| Space group | (189, 'P-62m') |
| Crystal system | hexagonal |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 1.44 |
| Free energy (eV) | -29.539 |
| Free energy / atom (eV) | -3.692 |
| a, b, c (Å): | 6.072 | 6.072 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 6.698 | 6.698 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Br6Re2
Br6Re2
| Property | Value |
|---|---|
| Band gap | 1.44 eV |
| E-fermi | -3.561 eV |
| Vacuum level | 1.376 eV |
| VBM | -3.883 eV |
| CBM | -2.440 eV |
| Work function | 4.938 eV |
| Cij (N/m) | xx | yy | xy |
| xx | -6.096 | -25.385 | -0.000 |
| yy | -25.385 | -6.096 | -0.000 |
| xy | -0.000 | -0.000 | 9.645 |
| Phonon mode at Γ point (THz) |
|---|
| -1.290 |
| -0.004 |
| -0.004 |
| 0.004 |
| 1.342 |
| 1.342 |
| 1.767 |
| 2.087 |
| 2.087 |
| 3.098 |
| 3.277 |
| 3.277 |
| 3.565 |
| 3.565 |
| 4.100 |
| 4.100 |
| 4.157 |
| 4.615 |
| 4.615 |
| 4.928 |
| 4.992 |
| 4.992 |
| 5.117 |
| 5.492 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1301 |